3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide

C23H19ClFN3O — CID 46328945

IUPAC3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C23H19ClFN3O/c1-28-21-11-9-17(26-23(29)16-8-10-19(25)18(24)13-16)14-20(21)27-22(28)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,26,29)
InChIKeyYDQXVTPZYAXZJO-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.40
Rot. Bonds5

About 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide

3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide (PubChem CID 46328945) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
PubChem CID46328945
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C23H19ClFN3O/c1-28-21-11-9-17(26-23(29)16-8-10-19(25)18(24)13-16)14-20(21)27-22(28)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,26,29)
InChIKeyYDQXVTPZYAXZJO-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 46328944
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide
CID 46328935
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide (CID 46328945) is 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide is Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide?
The InChIKey is YDQXVTPZYAXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-28-21-11-9-17(26-23(29)16-8-10-19(25)18(24)13-16)14-20(21)27-22(28)12-7-15-5-3-2-4-6-15/h2-6,8-11,13-14H,7,12H2,1H3,(H,26,29).
What are the key properties of 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide?
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide has a molecular weight of 407.88 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 46328945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).