5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide

C14H10FN3O — CID 155566808

IUPAC5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)ccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C14H10FN3O/c15-9-6-7-10-12(11(9)13(16)19)18-14(17-10)8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18)
InChIKeyDHHKRAAWSDPAOC-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.47
Rot. Bonds2

About 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide

5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 155566808) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID155566808
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)ccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C14H10FN3O/c15-9-6-7-10-12(11(9)13(16)19)18-14(17-10)8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18)
InChIKeyDHHKRAAWSDPAOC-UHFFFAOYSA-N
XLogP2.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
CID 141341800
7-bromo-2-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 91686758
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide
CID 122182183
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
CID 155535594
ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 168908312
2-phenyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione
CID 11674223
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole
CID 67701808
N-(2-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 66898481
7-bromo-2-(4-iodophenyl)-3H-benzimidazole-5-carboxamide
CID 91686755

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide (CID 155566808) is 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide is NC(=O)c1c(F)ccc2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is DHHKRAAWSDPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-9-6-7-10-12(11(9)13(16)19)18-14(17-10)8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18).
What are the key properties of 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide?
5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155566808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).