3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide

C29H24FN3O3 — CID 143869000

IUPAC3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide
SMILESCCC(=O)c1cc(-c2ccc(NC(=O)c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc2)oc1C
InChIInChI=1S/C29H24FN3O3/c1-4-27(34)24-16-28(36-17(24)2)19-5-10-22(11-6-19)32-29(35)20-7-14-25-26(15-20)33(18(3)31-25)23-12-8-21(30)9-13-23/h5-16H,4H2,1-3H3,(H,32,35)
InChIKeyLGTCCEQNCQKEQM-UHFFFAOYSA-N
MW481.53 g/mol
LogP6.89
Rot. Bonds6

About 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide

3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide (PubChem CID 143869000) has the molecular formula C29H24FN3O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide
PubChem CID143869000
Molecular FormulaC29H24FN3O3
Molecular Weight481.53 g/mol
Exact Mass481.18
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide
SMILESCCC(=O)c1cc(-c2ccc(NC(=O)c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc2)oc1C
InChIInChI=1S/C29H24FN3O3/c1-4-27(34)24-16-28(36-17(24)2)19-5-10-22(11-6-19)32-29(35)20-7-14-25-26(15-20)33(18(3)31-25)23-12-8-21(30)9-13-23/h5-16H,4H2,1-3H3,(H,32,35)
InChIKeyLGTCCEQNCQKEQM-UHFFFAOYSA-N
XLogP6.89
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666
2-[4-(4-Methoxy-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9924991
2-[4-(4-Carbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9947651
2-[4-(3,4-Dimethyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10108984
2-[4-(2-Fluoro-5-trifluoromethyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10136568
2-[4-(3-Diethylcarbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10274172
2-(4-phenoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11236100
[2-Methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
CID 874125
1-(4-ethoxyphenyl)-N-(2-furylmethyl)-2-methyl-1H-benzimidazole-5-carboxamide
CID 3236955
N-[(2-Methoxyphenyl)methyl]-2-methyl-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3655465
1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
CID 4103825
1-(4-Ethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole-5-carboxamide
CID 4663508

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide (CID 143869000) is 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide is CCC(=O)c1cc(-c2ccc(NC(=O)c3ccc4nc(C)n(-c5ccc(F)cc5)c4c3)cc2)oc1C.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is LGTCCEQNCQKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O3/c1-4-27(34)24-16-28(36-17(24)2)19-5-10-22(11-6-19)32-29(35)20-7-14-25-26(15-20)33(18(3)31-25)23-12-8-21(30)9-13-23/h5-16H,4H2,1-3H3,(H,32,35).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide?
3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-[4-(5-methyl-4-propanoylfuran-2-yl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 143869000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).