5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C29H28ClN5O2 — CID 146172883

IUPAC5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc4cc[nH]c4c3)c3ccccc32)CC1
InChIInChI=1S/C29H28ClN5O2/c1-18-24(14-21(30)16-32-18)28(36)33-22-9-6-19(7-10-22)17-34-26-4-2-3-5-27(26)35(29(34)37)23-11-8-20-12-13-31-25(20)15-23/h2-5,8,11-16,19,22,31H,6-7,9-10,17H2,1H3,(H,33,36)
InChIKeyMODOBFJXIRCXBN-UHFFFAOYSA-N
MW514.03 g/mol
LogP5.62
Rot. Bonds5

About 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 146172883) has the molecular formula C29H28ClN5O2 and a molecular weight of 514.03 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID146172883
Molecular FormulaC29H28ClN5O2
Molecular Weight514.03 g/mol
Exact Mass513.19
IUPAC Name5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc4cc[nH]c4c3)c3ccccc32)CC1
InChIInChI=1S/C29H28ClN5O2/c1-18-24(14-21(30)16-32-18)28(36)33-22-9-6-19(7-10-22)17-34-26-4-2-3-5-27(26)35(29(34)37)23-11-8-20-12-13-31-25(20)15-23/h2-5,8,11-16,19,22,31H,6-7,9-10,17H2,1H3,(H,33,36)
InChIKeyMODOBFJXIRCXBN-UHFFFAOYSA-N
XLogP5.62
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.03
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-[4-[[3-(2-methyl-1,3-benzothiazol-5-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172622
5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172620
5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172444
5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146181074
5-chloro-N-[4-[[3-(4-imidazol-1-ylphenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172751
5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 175073711
5-chloro-2-methyl-N-[4-[[3-[4-(1,3-oxazol-4-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172492
5-chloro-2-methyl-N-[4-[[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172743
5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 161167389
5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172901
5-chloro-N-[4-[[3-(6-methoxy-2-methyl-3-pyridinyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172874
5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172355

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 146172883) is 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc4cc[nH]c4c3)c3ccccc32)CC1.
What is the InChIKey of 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is MODOBFJXIRCXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O2/c1-18-24(14-21(30)16-32-18)28(36)33-22-9-6-19(7-10-22)17-34-26-4-2-3-5-27(26)35(29(34)37)23-11-8-20-12-13-31-25(20)15-23/h2-5,8,11-16,19,22,31H,6-7,9-10,17H2,1H3,(H,33,36).
What are the key properties of 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 514.03 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[3-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 146172883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).