3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)

C103H107Cl2FN16O8 — CID 165110891

IUPAC3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)
SMILESCOc1ccc(-n2cnc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1Cl.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CC2CCC(C2)C1
InChIInChI=1S/C21H20ClN3O.2C21H23N3O2.C20H20ClN3O.C20H21FN4O2/c22-17-2-1-3-18(10-17)25-13-23-19-9-16(6-7-20(19)25)21(26)24-11-14-4-5-15(8-14)12-24;2*1-15-9-11-23(12-10-15)21(25)16-3-8-20-19(13-16)22-14-24(20)17-4-6-18(26-2)7-5-17;1-14-5-7-16(12-17(14)21)24-13-22-18-11-15(6-8-19(18)24)20(25)23-9-3-2-4-10-23;1-20(21)7-9-24(10-8-20)19(26)14-11-17-18(22-12-14)25(13-23-17)15-3-5-16(27-2)6-4-15/h1-3,6-7,9-10,13-15H,4-5,8,11-12H2;2*3-8,13-15H,9-12H2,1-2H3;5-8,11-13H,2-4,9-10H2,1H3;3-6,11-13H,7-10H2,1-2H3
InChIKeyZXRUECXWDGRPTP-UHFFFAOYSA-N
MW1787.00 g/mol
LogP20.37
Rot. Bonds13

About 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)

3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone) (PubChem CID 165110891) has the molecular formula C103H107Cl2FN16O8 and a molecular weight of 1787.00 g/mol. Its IUPAC name is 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone).

Molecular Properties

Compound Name3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)
PubChem CID165110891
Molecular FormulaC103H107Cl2FN16O8
Molecular Weight1787.00 g/mol
Exact Mass1784.78
IUPAC Name3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)
SMILESCOc1ccc(-n2cnc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1Cl.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CC2CCC(C2)C1
InChIInChI=1S/C21H20ClN3O.2C21H23N3O2.C20H20ClN3O.C20H21FN4O2/c22-17-2-1-3-18(10-17)25-13-23-19-9-16(6-7-20(19)25)21(26)24-11-14-4-5-15(8-14)12-24;2*1-15-9-11-23(12-10-15)21(25)16-3-8-20-19(13-16)22-14-24(20)17-4-6-18(26-2)7-5-17;1-14-5-7-16(12-17(14)21)24-13-22-18-11-15(6-8-19(18)24)20(25)23-9-3-2-4-10-23;1-20(21)7-9-24(10-8-20)19(26)14-11-17-18(22-12-14)25(13-23-17)15-3-5-16(27-2)6-4-15/h1-3,6-7,9-10,13-15H,4-5,8,11-12H2;2*3-8,13-15H,9-12H2,1-2H3;5-8,11-13H,2-4,9-10H2,1H3;3-6,11-13H,7-10H2,1-2H3
InChIKeyZXRUECXWDGRPTP-UHFFFAOYSA-N
XLogP20.37
TPSA231.23 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.00
LogP ≤ 520.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)?
The IUPAC name of 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone) (CID 165110891) is 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone).
What is the SMILES notation for 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)?
The canonical SMILES for 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone) is COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1Cl.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CC2CCC(C2)C1.
What is the InChIKey of 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)?
The InChIKey is ZXRUECXWDGRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O.2C21H23N3O2.C20H20ClN3O.C20H21FN4O2/c22-17-2-1-3-18(10-17)25-13-23-19-9-16(6-7-20(19)25)21(26)24-11-14-4-5-15(8-14)12-24;2*1-15-9-11-23(12-10-15)21(25)16-3-8-20-19(13-16)22-14-24(20)17-4-6-18(26-2)7-5-17;1-14-5-7-16(12-17(14)21)24-13-22-18-11-15(6-8-19(18)24)20(25)23-9-3-2-4-10-23;1-20(21)7-9-24(10-8-20)19(26)14-11-17-18(22-12-14)25(13-23-17)15-3-5-16(27-2)6-4-15/h1-3,6-7,9-10,13-15H,4-5,8,11-12H2;2*3-8,13-15H,9-12H2,1-2H3;5-8,11-13H,2-4,9-10H2,1H3;3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone)?
3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone) has a molecular weight of 1787.00 g/mol, XLogP of 20.37, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.1]octan-3-yl-[1-(3-chlorophenyl)benzimidazol-5-yl]methanone;[1-(3-chloro-4-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone) is sourced from PubChem (CID 165110891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).