2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole

C156H180Cl2N36O10S6 — CID 162144866

IUPAC2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole
SMILESC=S(C)(=O)C1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.C=S1(=O)CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.Cn1c(-c2cc(N3C[C@@H]4C(NS(C)(O)O)[C@@H]4C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3C[C@@H]4C(NS(C)=O)[C@@H]4C3)ncc2Cl)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(CS(C)(=O)=O)CC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(N4CCCC4=O)CC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCCCCC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCCN(S(C)(=O)=O)CC3)c2)nc2ccccc21
InChIInChI=1S/C22H25N5O.C20H24N4O2S.C20H24N4OS.C19H22ClN5O2S.C19H20ClN5OS.C19H23N5O2S.C19H22N4.C18H20N4OS/c1-25-19-6-3-2-5-18(19)24-22(25)16-8-11-23-20(15-16)26-13-9-17(10-14-26)27-12-4-7-21(27)28;1-23-18-6-4-3-5-17(18)22-20(23)16-7-10-21-19(13-16)24-11-8-15(9-12-24)14-27(2,25)26;1-23-18-7-5-4-6-17(18)22-20(23)15-8-11-21-19(14-15)24-12-9-16(10-13-24)26(2,3)25;1-24-16-6-4-3-5-15(16)22-19(24)11-7-17(21-8-14(11)20)25-9-12-13(10-25)18(12)23-28(2,26)27;1-24-16-6-4-3-5-15(16)22-19(24)11-7-17(21-8-14(11)20)25-9-12-13(10-25)18(12)23-27(2)26;1-22-17-7-4-3-6-16(17)21-19(22)15-8-9-20-18(14-15)23-10-5-11-24(13-12-23)27(2,25)26;1-22-17-9-5-4-8-16(17)21-19(22)15-10-11-20-18(14-15)23-12-6-2-3-7-13-23;1-21-16-6-4-3-5-15(16)20-18(21)14-7-8-19-17(13-14)22-9-11-24(2,23)12-10-22/h2-3,5-6,8,11,15,17H,4,7,9-10,12-14H2,1H3;3-7,10,13,15H,8-9,11-12,14H2,1-2H3;4-8,11,14,16H,2,9-10,12-13H2,1,3H3;3-8,12-13,18,23,26-27H,9-10H2,1-2H3;3-8,12-13,18,23H,9-10H2,1-2H3;3-4,6-9,14H,5,10-13H2,1-2H3;4-5,8-11,14H,2-3,6-7,12-13H2,1H3;3-8,13H,2,9-12H2,1H3/t;;;12-,13+,18?;12-,13+,18?,27?;;;
InChIKeyZKKNDQOMJVRMFC-BTOODPGRSA-N
MW2982.71 g/mol
LogP23.58
Rot. Bonds25

About 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole

2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole (PubChem CID 162144866) has the molecular formula C156H180Cl2N36O10S6 and a molecular weight of 2982.71 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole
PubChem CID162144866
Molecular FormulaC156H180Cl2N36O10S6
Molecular Weight2982.71 g/mol
Exact Mass2979.24
IUPAC Name2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole
SMILESC=S(C)(=O)C1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.C=S1(=O)CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.Cn1c(-c2cc(N3C[C@@H]4C(NS(C)(O)O)[C@@H]4C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3C[C@@H]4C(NS(C)=O)[C@@H]4C3)ncc2Cl)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(CS(C)(=O)=O)CC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(N4CCCC4=O)CC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCCCCC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCCN(S(C)(=O)=O)CC3)c2)nc2ccccc21
InChIInChI=1S/C22H25N5O.C20H24N4O2S.C20H24N4OS.C19H22ClN5O2S.C19H20ClN5OS.C19H23N5O2S.C19H22N4.C18H20N4OS/c1-25-19-6-3-2-5-18(19)24-22(25)16-8-11-23-20(15-16)26-13-9-17(10-14-26)27-12-4-7-21(27)28;1-23-18-6-4-3-5-17(18)22-20(23)16-7-10-21-19(13-16)24-11-8-15(9-12-24)14-27(2,25)26;1-23-18-7-5-4-6-17(18)22-20(23)15-8-11-21-19(14-15)24-12-9-16(10-13-24)26(2,3)25;1-24-16-6-4-3-5-15(16)22-19(24)11-7-17(21-8-14(11)20)25-9-12-13(10-25)18(12)23-28(2,26)27;1-24-16-6-4-3-5-15(16)22-19(24)11-7-17(21-8-14(11)20)25-9-12-13(10-25)18(12)23-27(2)26;1-22-17-7-4-3-6-16(17)21-19(22)15-8-9-20-18(14-15)23-10-5-11-24(13-12-23)27(2,25)26;1-22-17-9-5-4-8-16(17)21-19(22)15-10-11-20-18(14-15)23-12-6-2-3-7-13-23;1-21-16-6-4-3-5-15(16)20-18(21)14-7-8-19-17(13-14)22-9-11-24(2,23)12-10-22/h2-3,5-6,8,11,15,17H,4,7,9-10,12-14H2,1H3;3-7,10,13,15H,8-9,11-12,14H2,1-2H3;4-8,11,14,16H,2,9-10,12-13H2,1,3H3;3-8,12-13,18,23,26-27H,9-10H2,1-2H3;3-8,12-13,18,23H,9-10H2,1-2H3;3-4,6-9,14H,5,10-13H2,1-2H3;4-5,8-11,14H,2-3,6-7,12-13H2,1H3;3-8,13H,2,9-12H2,1H3/t;;;12-,13+,18?;12-,13+,18?,27?;;;
InChIKeyZKKNDQOMJVRMFC-BTOODPGRSA-N
XLogP23.58
TPSA479.16 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002982.71
LogP ≤ 523.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole?
The IUPAC name of 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole (CID 162144866) is 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole.
What is the SMILES notation for 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole?
The canonical SMILES for 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole is C=S(C)(=O)C1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.C=S1(=O)CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1.Cn1c(-c2cc(N3C[C@@H]4C(NS(C)(O)O)[C@@H]4C3)ncc2Cl)nc2ccccc21.Cn1c(-c2cc(N3C[C@@H]4C(NS(C)=O)[C@@H]4C3)ncc2Cl)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(CS(C)(=O)=O)CC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCC(N4CCCC4=O)CC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCCCCC3)c2)nc2ccccc21.Cn1c(-c2ccnc(N3CCCN(S(C)(=O)=O)CC3)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole?
The InChIKey is ZKKNDQOMJVRMFC-BTOODPGRSA-N. The full InChI is InChI=1S/C22H25N5O.C20H24N4O2S.C20H24N4OS.C19H22ClN5O2S.C19H20ClN5OS.C19H23N5O2S.C19H22N4.C18H20N4OS/c1-25-19-6-3-2-5-18(19)24-22(25)16-8-11-23-20(15-16)26-13-9-17(10-14-26)27-12-4-7-21(27)28;1-23-18-6-4-3-5-17(18)22-20(23)16-7-10-21-19(13-16)24-11-8-15(9-12-24)14-27(2,25)26;1-23-18-7-5-4-6-17(18)22-20(23)15-8-11-21-19(14-15)24-12-9-16(10-13-24)26(2,3)25;1-24-16-6-4-3-5-15(16)22-19(24)11-7-17(21-8-14(11)20)25-9-12-13(10-25)18(12)23-28(2,26)27;1-24-16-6-4-3-5-15(16)22-19(24)11-7-17(21-8-14(11)20)25-9-12-13(10-25)18(12)23-27(2)26;1-22-17-7-4-3-6-16(17)21-19(22)15-8-9-20-18(14-15)23-10-5-11-24(13-12-23)27(2,25)26;1-22-17-9-5-4-8-16(17)21-19(22)15-10-11-20-18(14-15)23-12-6-2-3-7-13-23;1-21-16-6-4-3-5-15(16)20-18(21)14-7-8-19-17(13-14)22-9-11-24(2,23)12-10-22/h2-3,5-6,8,11,15,17H,4,7,9-10,12-14H2,1H3;3-7,10,13,15H,8-9,11-12,14H2,1-2H3;4-8,11,14,16H,2,9-10,12-13H2,1,3H3;3-8,12-13,18,23,26-27H,9-10H2,1-2H3;3-8,12-13,18,23H,9-10H2,1-2H3;3-4,6-9,14H,5,10-13H2,1-2H3;4-5,8-11,14H,2-3,6-7,12-13H2,1H3;3-8,13H,2,9-12H2,1H3/t;;;12-,13+,18?;12-,13+,18?,27?;;;.
What are the key properties of 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole?
2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole has a molecular weight of 2982.71 g/mol, XLogP of 23.58, 25 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole;N-[(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfinamide;(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine;4-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylidene-1,4-thiazinane 1-oxide;1-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one;methyl-[1-[4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-methylidene-oxo-λ6-sulfane;1-methyl-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)-4-pyridinyl]benzimidazole;1-methyl-2-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]benzimidazole is sourced from PubChem (CID 162144866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).