5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C27H25ClF3N5O2 — CID 146172444

IUPAC5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C(F)(F)F)nc3)c3ccccc32)CC1
InChIInChI=1S/C27H25ClF3N5O2/c1-16-21(12-18(28)13-32-16)25(37)34-19-8-6-17(7-9-19)15-35-22-4-2-3-5-23(22)36(26(35)38)20-10-11-24(33-14-20)27(29,30)31/h2-5,10-14,17,19H,6-9,15H2,1H3,(H,34,37)
InChIKeyNMVAQHMLUMDMGL-UHFFFAOYSA-N
MW543.98 g/mol
LogP5.55
Rot. Bonds5

About 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172444) has the molecular formula C27H25ClF3N5O2 and a molecular weight of 543.98 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID146172444
Molecular FormulaC27H25ClF3N5O2
Molecular Weight543.98 g/mol
Exact Mass543.16
IUPAC Name5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C(F)(F)F)nc3)c3ccccc32)CC1
InChIInChI=1S/C27H25ClF3N5O2/c1-16-21(12-18(28)13-32-16)25(37)34-19-8-6-17(7-9-19)15-35-22-4-2-3-5-23(22)36(26(35)38)20-10-11-24(33-14-20)27(29,30)31/h2-5,10-14,17,19H,6-9,15H2,1H3,(H,34,37)
InChIKeyNMVAQHMLUMDMGL-UHFFFAOYSA-N
XLogP5.55
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.98
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 72711958
4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10253863
5-chloro-N-methyl-6-(4-(6-(trifluoromethyl)-1H-benzo[d]-imidazol-2-yl)piperazin-1-yl)nicotinamide
CID 10410905
5-chloro-6-(4-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-piperazin-1-yl)nicotinamide
CID 11661809
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(pyridin-3-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 71458737
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 72711955
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 72711956
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 73347894
5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53340970
5-chloro-N-[4-[(3,7-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53340971
Trans-5-Chloro-N-[4-(3-ethyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
CID 53341018
Trans-5-Chloro-N-[4-(3-isobutyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
CID 53341019

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172444) is 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(C(F)(F)F)nc3)c3ccccc32)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is NMVAQHMLUMDMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N5O2/c1-16-21(12-18(28)13-32-16)25(37)34-19-8-6-17(7-9-19)15-35-22-4-2-3-5-23(22)36(26(35)38)20-10-11-24(33-14-20)27(29,30)31/h2-5,10-14,17,19H,6-9,15H2,1H3,(H,34,37).
What are the key properties of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 543.98 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).