2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

C22H18F2N4O3 — CID 56561104

IUPAC2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C22H18F2N4O3/c23-19(24)20-27-17-7-6-15(10-18(17)28-20)22(30)25-11-13-3-1-4-14(9-13)21(29)26-12-16-5-2-8-31-16/h1-10,19H,11-12H2,(H,25,30)(H,26,29)(H,27,28)
InChIKeyFSUNZVXHSPLABV-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.95
Rot. Bonds7

About 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56561104) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID56561104
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C22H18F2N4O3/c23-19(24)20-27-17-7-6-15(10-18(17)28-20)22(30)25-11-13-3-1-4-14(9-13)21(29)26-12-16-5-2-8-31-16/h1-10,19H,11-12H2,(H,25,30)(H,26,29)(H,27,28)
InChIKeyFSUNZVXHSPLABV-UHFFFAOYSA-N
XLogP3.95
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
2-[amino-(2-aminophenyl)methyl]-N-(furan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 163644327
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56539158
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (CID 56561104) is 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FSUNZVXHSPLABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-19(24)20-27-17-7-6-15(10-18(17)28-20)22(30)25-11-13-3-1-4-14(9-13)21(29)26-12-16-5-2-8-31-16/h1-10,19H,11-12H2,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).