5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C28H25ClFN5O2 — CID 175073711

IUPAC5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C#N)c(F)c3)c3ccccc32)CC1
InChIInChI=1S/C28H25ClFN5O2/c1-17-23(12-20(29)15-32-17)27(36)33-21-9-6-18(7-10-21)16-34-25-4-2-3-5-26(25)35(28(34)37)22-11-8-19(14-31)24(30)13-22/h2-5,8,11-13,15,18,21H,6-7,9-10,16H2,1H3,(H,33,36)
InChIKeyNESRMYOTGIDOIZ-UHFFFAOYSA-N
MW517.99 g/mol
LogP5.15
Rot. Bonds5

About 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 175073711) has the molecular formula C28H25ClFN5O2 and a molecular weight of 517.99 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID175073711
Molecular FormulaC28H25ClFN5O2
Molecular Weight517.99 g/mol
Exact Mass517.17
IUPAC Name5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C#N)c(F)c3)c3ccccc32)CC1
InChIInChI=1S/C28H25ClFN5O2/c1-17-23(12-20(29)15-32-17)27(36)33-21-9-6-18(7-10-21)16-34-25-4-2-3-5-26(25)35(28(34)37)22-11-8-19(14-31)24(30)13-22/h2-5,8,11-13,15,18,21H,6-7,9-10,16H2,1H3,(H,33,36)
InChIKeyNESRMYOTGIDOIZ-UHFFFAOYSA-N
XLogP5.15
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.99
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1H-indol-6-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172883
5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172355
5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172620
5-chloro-N-[4-[[3-(4-imidazol-1-ylphenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172751
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-[4-(1,3-oxazol-4-yl)phenyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172492
5-chloro-N-[4-[[3-[6-[3-hydroxypropyl(methyl)amino]-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146173071
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 175073711) is 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C#N)c(F)c3)c3ccccc32)CC1.
What is the InChIKey of 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is NESRMYOTGIDOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN5O2/c1-17-23(12-20(29)15-32-17)27(36)33-21-9-6-18(7-10-21)16-34-25-4-2-3-5-26(25)35(28(34)37)22-11-8-19(14-31)24(30)13-22/h2-5,8,11-13,15,18,21H,6-7,9-10,16H2,1H3,(H,33,36).
What are the key properties of 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 517.99 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 175073711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).