N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide

C14H10FN3O — CID 110700914

IUPACN-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2[nH]cnc12
InChIInChI=1S/C14H10FN3O/c15-9-4-6-10(7-5-9)18-14(19)11-2-1-3-12-13(11)17-8-16-12/h1-8H,(H,16,17)(H,18,19)
InChIKeyLHSKPNFEMBHKBQ-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.95
Rot. Bonds2

About N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide

N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 110700914) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
PubChem CID110700914
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC NameN-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2[nH]cnc12
InChIInChI=1S/C14H10FN3O/c15-9-4-6-10(7-5-9)18-14(19)11-2-1-3-12-13(11)17-8-16-12/h1-8H,(H,16,17)(H,18,19)
InChIKeyLHSKPNFEMBHKBQ-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)phenyl]-1H-benzimidazole-4-carboxamide
CID 110700946
1H-benzimidazole-4-carboxylic acid
CID 2771758
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 110700966
N-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110858705
lithium 1H-benzimidazole-4-carboxylate
CID 141288016
6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 154794509
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
N-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
bis(1H-benzimidazol-4-yl)methanethione
CID 174817442
N-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide
CID 90962785
N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
CID 91470485

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide (CID 110700914) is N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc2[nH]cnc12.
What is the InChIKey of N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is LHSKPNFEMBHKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-9-4-6-10(7-5-9)18-14(19)11-2-1-3-12-13(11)17-8-16-12/h1-8H,(H,16,17)(H,18,19).
What are the key properties of N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide?
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110700914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).