2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide

C23H20F2N4O2 — CID 100686284

IUPAC2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c2cccnc2)c1
InChIInChI=1S/C23H20F2N4O2/c1-29-19-9-8-15(12-18(19)27-22(29)21(24)25)23(30)28-20(16-6-4-10-26-13-16)14-5-3-7-17(11-14)31-2/h3-13,20-21H,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyPDERCTHYLNNCCD-HXUWFJFHSA-N
MW422.44 g/mol
LogP4.43
Rot. Bonds6

About 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide

2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 100686284) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID100686284
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1cccc([C@@H](NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c2cccnc2)c1
InChIInChI=1S/C23H20F2N4O2/c1-29-19-9-8-15(12-18(19)27-22(29)21(24)25)23(30)28-20(16-6-4-10-26-13-16)14-5-3-7-17(11-14)31-2/h3-13,20-21H,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyPDERCTHYLNNCCD-HXUWFJFHSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
(2S)-N-[(S)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213232
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 31505088
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
2-(difluoromethyl)-1-methyl-N-(2,4,6-trimethyl-3-pyridinyl)benzimidazole-5-carboxamide
CID 100682484

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide (CID 100686284) is 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide is COc1cccc([C@@H](NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)c2cccnc2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is PDERCTHYLNNCCD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-29-19-9-8-15(12-18(19)27-22(29)21(24)25)23(30)28-20(16-6-4-10-26-13-16)14-5-3-7-17(11-14)31-2/h3-13,20-21H,1-2H3,(H,28,30)/t20-/m1/s1.
What are the key properties of 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(R)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100686284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).