N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

C82H98N26O6S2 — CID 157078924

IUPACN-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)Nc1ccc2ccn(Cc3cnc[nH]3)c2c1.CNC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CC2.NCc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.[H]/N=C(\N)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H19N5O.C14H18N4O2S.C14H14N4O.C13H15N5.C13H16N4O2S.C13H16N4/c1-16-15(21)19(2)13-4-3-11-5-6-20(14(11)7-13)9-12-8-17-10-18-12;1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;1-10(19)17-12-3-2-11-4-5-18(14(11)6-12)8-13-7-15-9-16-13;14-13(15)10-2-1-9-3-4-18(12(9)5-10)7-11-6-16-8-17-11;1-14-20(18,19)12-3-2-10-4-5-17(13(10)6-12)8-11-7-15-9-16-11;14-6-10-1-2-11-3-4-17(13(11)5-10)8-12-7-15-9-16-12/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,21)(H,17,18);2-3,8-10,17H,4-7H2,1H3,(H,15,16);2-7,9H,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H3,14,15)(H,16,17);2-3,6-7,9,14H,4-5,8H2,1H3,(H,15,16);1-2,5,7,9H,3-4,6,8,14H2,(H,15,16)
InChIKeyADHKXTIIOYPQII-UHFFFAOYSA-N
MW1608.00 g/mol
LogP9.07
Rot. Bonds21

About N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 157078924) has the molecular formula C82H98N26O6S2 and a molecular weight of 1608.00 g/mol. Its IUPAC name is N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID157078924
Molecular FormulaC82H98N26O6S2
Molecular Weight1608.00 g/mol
Exact Mass1606.76
IUPAC NameN-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)Nc1ccc2ccn(Cc3cnc[nH]3)c2c1.CNC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CC2.NCc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.[H]/N=C(\N)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C15H19N5O.C14H18N4O2S.C14H14N4O.C13H15N5.C13H16N4O2S.C13H16N4/c1-16-15(21)19(2)13-4-3-11-5-6-20(14(11)7-13)9-12-8-17-10-18-12;1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;1-10(19)17-12-3-2-11-4-5-18(14(11)6-12)8-13-7-15-9-16-13;14-13(15)10-2-1-9-3-4-18(12(9)5-10)7-11-6-16-8-17-11;1-14-20(18,19)12-3-2-10-4-5-17(13(10)6-12)8-11-7-15-9-16-11;14-6-10-1-2-11-3-4-17(13(11)5-10)8-12-7-15-9-16-12/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,21)(H,17,18);2-3,8-10,17H,4-7H2,1H3,(H,15,16);2-7,9H,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H3,14,15)(H,16,17);2-3,6-7,9,14H,4-5,8H2,1H3,(H,15,16);1-2,5,7,9H,3-4,6,8,14H2,(H,15,16)
InChIKeyADHKXTIIOYPQII-UHFFFAOYSA-N
XLogP9.07
TPSA422.88 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001608.00
LogP ≤ 59.07
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160113901
tert-butyl (2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 57816731
methyl N-[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57816740
methyl N-[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 57816744
[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 68579685
[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 68581936
[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 68581944
[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid
CID 68796252
[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid
CID 68796255
[(2S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-methylcarbamic acid
CID 68797780
[(2S)-1-[(2S)-2-[1-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-4-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]imidazol-2-yl]pyrrolidin-1-yl]-4-methoxy-1-oxobutan-2-yl]carbamic acid
CID 89510920
methyl N-[(3S)-1-[(2S)-2-[5-[9-(benzenesulfonyl)-7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methyl-1,2-dioxopentan-3-yl]carbamate
CID 141246573

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (CID 157078924) is N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is CC(=O)Nc1ccc2ccn(Cc3cnc[nH]3)c2c1.CNC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.CS(=O)(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CC2.NCc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.[H]/N=C(\N)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ADHKXTIIOYPQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C14H18N4O2S.C14H14N4O.C13H15N5.C13H16N4O2S.C13H16N4/c1-16-15(21)19(2)13-4-3-11-5-6-20(14(11)7-13)9-12-8-17-10-18-12;1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;1-10(19)17-12-3-2-11-4-5-18(14(11)6-12)8-13-7-15-9-16-13;14-13(15)10-2-1-9-3-4-18(12(9)5-10)7-11-6-16-8-17-11;1-14-20(18,19)12-3-2-10-4-5-17(13(10)6-12)8-11-7-15-9-16-11;14-6-10-1-2-11-3-4-17(13(11)5-10)8-12-7-15-9-16-12/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,16,21)(H,17,18);2-3,8-10,17H,4-7H2,1H3,(H,15,16);2-7,9H,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H3,14,15)(H,16,17);2-3,6-7,9,14H,4-5,8H2,1H3,(H,15,16);1-2,5,7,9H,3-4,6,8,14H2,(H,15,16).
What are the key properties of N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 1608.00 g/mol, XLogP of 9.07, 21 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole-6-carboximidamide;1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]methanamine;N-[1-(1H-imidazol-5-ylmethyl)indol-6-yl]acetamide;1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 157078924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).