2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C21H15F2N5O2 — CID 56563825

IUPAC2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1
InChIInChI=1S/C21H15F2N5O2/c22-18(23)19-27-16-5-4-13(11-17(16)28-19)21(30)26-15-3-1-2-12(10-15)20(29)25-14-6-8-24-9-7-14/h1-11,18H,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyQGBFUYZYFCAHTK-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.40
Rot. Bonds5

About 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56563825) has the molecular formula C21H15F2N5O2 and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID56563825
Molecular FormulaC21H15F2N5O2
Molecular Weight407.38 g/mol
Exact Mass407.12
IUPAC Name2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccncc1)c1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1
InChIInChI=1S/C21H15F2N5O2/c22-18(23)19-27-16-5-4-13(11-17(16)28-19)21(30)26-15-3-1-2-12(10-15)20(29)25-14-6-8-24-9-7-14/h1-11,18H,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyQGBFUYZYFCAHTK-UHFFFAOYSA-N
XLogP4.40
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
2-(difluoromethyl)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 145039648
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 56561244
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561316
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 56563825) is 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccncc1)c1cccc(NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QGBFUYZYFCAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O2/c22-18(23)19-27-16-5-4-13(11-17(16)28-19)21(30)26-15-3-1-2-12(10-15)20(29)25-14-6-8-24-9-7-14/h1-11,18H,(H,26,30)(H,27,28)(H,24,25,29).
What are the key properties of 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56563825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).