2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide

C20H21F2N3O — CID 56561316

IUPAC2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1
InChIInChI=1S/C20H21F2N3O/c1-11(2)13-4-6-14(7-5-13)12(3)23-20(26)15-8-9-16-17(10-15)25-19(24-16)18(21)22/h4-12,18H,1-3H3,(H,23,26)(H,24,25)
InChIKeyUWRXQDRHDYLADA-UHFFFAOYSA-N
MW357.40 g/mol
LogP5.11
Rot. Bonds5

About 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56561316) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID56561316
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1
InChIInChI=1S/C20H21F2N3O/c1-11(2)13-4-6-14(7-5-13)12(3)23-20(26)15-8-9-16-17(10-15)25-19(24-16)18(21)22/h4-12,18H,1-3H3,(H,23,26)(H,24,25)
InChIKeyUWRXQDRHDYLADA-UHFFFAOYSA-N
XLogP5.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
2-(difluoromethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561224
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 56561244
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56539158
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
4-benzoyl-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbenzamide
CID 59655320

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 56561316) is 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide is CC(C)c1ccc(C(C)NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UWRXQDRHDYLADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-11(2)13-4-6-14(7-5-13)12(3)23-20(26)15-8-9-16-17(10-15)25-19(24-16)18(21)22/h4-12,18H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).