4-(3H-benzimidazol-5-yl)-3-fluorobenzamide

C14H10FN3O — CID 175532985

IUPAC4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
SMILESNC(=O)c1ccc(-c2ccc3nc[nH]c3c2)c(F)c1
InChIInChI=1S/C14H10FN3O/c15-11-5-9(14(16)19)1-3-10(11)8-2-4-12-13(6-8)18-7-17-12/h1-7H,(H2,16,19)(H,17,18)
InChIKeyMHSILIZEOLFNCD-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.47
Rot. Bonds2

About 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide

4-(3H-benzimidazol-5-yl)-3-fluorobenzamide (PubChem CID 175532985) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
PubChem CID175532985
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-(3H-benzimidazol-5-yl)-3-fluorobenzamide
SMILESNC(=O)c1ccc(-c2ccc3nc[nH]c3c2)c(F)c1
InChIInChI=1S/C14H10FN3O/c15-11-5-9(14(16)19)1-3-10(11)8-2-4-12-13(6-8)18-7-17-12/h1-7H,(H2,16,19)(H,17,18)
InChIKeyMHSILIZEOLFNCD-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

3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
CID 171064601
3-(3H-benzimidazol-5-yl)-5-fluoro-4-(1-hydroxyethyl)benzoic acid
CID 171064427
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
[2-(3H-benzimidazol-5-yl)phenyl]-phenylmethanone
CID 90027627
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
CID 175533008
3H-benzimidazole-5-carboxamide;2-methoxy-1H-benzimidazole
CID 161258178
4-(3H-benzimidazol-5-yl)-1-methyl-2-oxopyrimidine-5-carboxamide
CID 116852016
N'-amino-3H-benzimidazole-5-carboximidamide
CID 58433226
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide (CID 175532985) is 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide is NC(=O)c1ccc(-c2ccc3nc[nH]c3c2)c(F)c1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide?
The InChIKey is MHSILIZEOLFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-5-9(14(16)19)1-3-10(11)8-2-4-12-13(6-8)18-7-17-12/h1-7H,(H2,16,19)(H,17,18).
What are the key properties of 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide?
4-(3H-benzimidazol-5-yl)-3-fluorobenzamide 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 4-(3H-benzimidazol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 175532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).