5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

C21H21ClF2N4O2 — CID 146172693

IUPAC5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(Cn2c(=O)[nH]c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C21H21ClF2N4O2/c22-13-9-15(18(19(23)24)25-10-13)20(29)26-14-7-5-12(6-8-14)11-28-17-4-2-1-3-16(17)27-21(28)30/h1-4,9-10,12,14,19H,5-8,11H2,(H,26,29)(H,27,30)
InChIKeyPVBNCDIDGIJZKB-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.30
Rot. Bonds5

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

5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172693) has the molecular formula C21H21ClF2N4O2 and a molecular weight of 434.87 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID146172693
Molecular FormulaC21H21ClF2N4O2
Molecular Weight434.87 g/mol
Exact Mass434.13
IUPAC Name5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(Cn2c(=O)[nH]c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C21H21ClF2N4O2/c22-13-9-15(18(19(23)24)25-10-13)20(29)26-14-7-5-12(6-8-14)11-28-17-4-2-1-3-16(17)27-21(28)30/h1-4,9-10,12,14,19H,5-8,11H2,(H,26,29)(H,27,30)
InChIKeyPVBNCDIDGIJZKB-UHFFFAOYSA-N
XLogP4.30
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232574
5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172782
5-chloro-2-(difluoromethyl)-N-[4-[(3-isoquinolin-4-yl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 146175414
5-chloro-2-(difluoromethyl)-N-[4-[[3-[6-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172592
5-chloro-2-(difluoromethyl)-N-[4-[[2-oxo-3-[6-(2-oxoimidazolidin-1-yl)-2-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172600
5-chloro-2-(difluoromethyl)-N-[4-[[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172870
5-chloro-2-(difluoromethyl)-N-[4-[[3-[6-(methylcarbamoylamino)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172918
5-chloro-2-(difluoromethyl)-N-[4-[[3-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172834
5-chloro-2-(difluoromethyl)-N-[4-[[3-[6-[[(2S)-2-hydroxypropanoyl]amino]-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172912
5-chloro-2-(difluoromethyl)-N-[4-[[3-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146173056
2-[5-[3-[[4-[[5-chloro-2-(difluoromethyl)pyridine-3-carbonyl]amino]cyclohexyl]methyl]-2-oxobenzimidazol-1-yl]-2-pyridinyl]ethyl carbamate
CID 175081506
N-[4-[[3-[6-(1-amino-1-oxopropan-2-yl)oxy-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-5-chloro-2-(difluoromethyl)pyridine-3-carboxamide
CID 146172581

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172693) is 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(Cn2c(=O)[nH]c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is PVBNCDIDGIJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O2/c22-13-9-15(18(19(23)24)25-10-13)20(29)26-14-7-5-12(6-8-14)11-28-17-4-2-1-3-16(17)27-21(28)30/h1-4,9-10,12,14,19H,5-8,11H2,(H,26,29)(H,27,30).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 434.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).