4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide

C17H13ClFN3O — CID 154747623

IUPAC4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=C(Cl)c2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C17H13ClFN3O/c1-20-17(23)11-7-5-10(6-8-11)9-12(18)16-21-14-4-2-3-13(19)15(14)22-16/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyNUPQSQVUSRUCQQ-UHFFFAOYSA-N
MW329.76 g/mol
LogP3.80
Rot. Bonds3

About 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide

4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide (PubChem CID 154747623) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide
PubChem CID154747623
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=C(Cl)c2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C17H13ClFN3O/c1-20-17(23)11-7-5-10(6-8-11)9-12(18)16-21-14-4-2-3-13(19)15(14)22-16/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyNUPQSQVUSRUCQQ-UHFFFAOYSA-N
XLogP3.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-1-methylpyrrole-2-carbonitrile
CID 167897139
4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 2723751
4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)ethenyl]-N-methylbenzamide
CID 137306501
4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
CID 176661682
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
N-[2-(4-chlorophenyl)-1-(4,5,6,7-tetramethyl-1H-benzimidazol-2-yl)ethenyl]benzamide
CID 2731679
4-[3-(4-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(1H-pyrrol-2-yl)benzamide
CID 156700158
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
CID 135811902
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135847734
N-methylbenzamide
CID 11954
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide?
The IUPAC name of 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide (CID 154747623) is 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide is CNC(=O)c1ccc(C=C(Cl)c2nc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide?
The InChIKey is NUPQSQVUSRUCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-20-17(23)11-7-5-10(6-8-11)9-12(18)16-21-14-4-2-3-13(19)15(14)22-16/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide?
4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide has a molecular weight of 329.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide is sourced from PubChem (CID 154747623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).