N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide

C20H14F2N4O2 — CID 55933923

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1=O
InChIInChI=1S/C20H14F2N4O2/c1-26-7-6-11(8-18(26)27)20(28)23-13-3-5-16-17(10-13)25-19(24-16)14-9-12(21)2-4-15(14)22/h2-10H,1H3,(H,23,28)(H,24,25)
InChIKeyCVWQOXONVCDYPM-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.46
Rot. Bonds3

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 55933923) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID55933923
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1=O
InChIInChI=1S/C20H14F2N4O2/c1-26-7-6-11(8-18(26)27)20(28)23-13-3-5-16-17(10-13)25-19(24-16)14-9-12(21)2-4-15(14)22/h2-10H,1H3,(H,23,28)(H,24,25)
InChIKeyCVWQOXONVCDYPM-UHFFFAOYSA-N
XLogP3.46
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55971085
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55933919
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
CID 47066052
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55933918
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52711183
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 55933923) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)cc1=O.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is CVWQOXONVCDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-26-7-6-11(8-18(26)27)20(28)23-13-3-5-16-17(10-13)25-19(24-16)14-9-12(21)2-4-15(14)22/h2-10H,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 380.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 55933923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).