2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide

C20H12Cl2FN3O — CID 66965567

IUPAC2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C20H12Cl2FN3O/c21-12-4-3-5-13(22)18(12)19-24-16-9-8-11(10-17(16)25-19)20(27)26-15-7-2-1-6-14(15)23/h1-10H,(H,24,25)(H,26,27)
InChIKeyBSJITZHGMYBAHY-UHFFFAOYSA-N
MW400.24 g/mol
LogP5.93
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965567) has the molecular formula C20H12Cl2FN3O and a molecular weight of 400.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID66965567
Molecular FormulaC20H12Cl2FN3O
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C20H12Cl2FN3O/c21-12-4-3-5-13(22)18(12)19-24-16-9-8-11(10-17(16)25-19)20(27)26-15-7-2-1-6-14(15)23/h1-10H,(H,24,25)(H,26,27)
InChIKeyBSJITZHGMYBAHY-UHFFFAOYSA-N
XLogP5.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.24
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067
2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 66965647
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 66965658
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
2-(2-chloro-6-fluorophenyl)-N-(6-iodo-1H-benzimidazol-2-yl)-7-methyl-3H-benzimidazole-5-carboxamide
CID 67380503

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide (CID 66965567) is 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccccc1F)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BSJITZHGMYBAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3O/c21-12-4-3-5-13(22)18(12)19-24-16-9-8-11(10-17(16)25-19)20(27)26-15-7-2-1-6-14(15)23/h1-10H,(H,24,25)(H,26,27).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 400.24 g/mol, XLogP of 5.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).