1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone

C18H16ClFN2O2 — CID 58324293

IUPAC1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone
SMILESCOCC(=O)c1cc2[nH]cnc2c(F)c1Cc1ccc(Cl)cc1C
InChIInChI=1S/C18H16ClFN2O2/c1-10-5-12(19)4-3-11(10)6-14-13(16(23)8-24-2)7-15-18(17(14)20)22-9-21-15/h3-5,7,9H,6,8H2,1-2H3,(H,21,22)
InChIKeyWFKHYAADVJQBRX-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.08
Rot. Bonds5

About 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone

1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone (PubChem CID 58324293) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone
PubChem CID58324293
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone
SMILESCOCC(=O)c1cc2[nH]cnc2c(F)c1Cc1ccc(Cl)cc1C
InChIInChI=1S/C18H16ClFN2O2/c1-10-5-12(19)4-3-11(10)6-14-13(16(23)8-24-2)7-15-18(17(14)20)22-9-21-15/h3-5,7,9H,6,8H2,1-2H3,(H,21,22)
InChIKeyWFKHYAADVJQBRX-UHFFFAOYSA-N
XLogP4.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-ethoxyethanone
CID 58324308
4-[[6-[2-(cyclopropylmethoxy)acetyl]-4-fluoro-1H-benzimidazol-5-yl]methyl]-3-methylbenzonitrile
CID 58324301
1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324255
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324344
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-(4-morpholin-4-ylbutyl)benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324203
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
6-(4-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3H-benzimidazole-5-carboxamide
CID 91194605
4-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-fluoro-5-(2-methoxyacetyl)pyridin-2-one
CID 58360770
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
CID 122689707

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone (CID 58324293) is 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone is COCC(=O)c1cc2[nH]cnc2c(F)c1Cc1ccc(Cl)cc1C.
What is the InChIKey of 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone?
The InChIKey is WFKHYAADVJQBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-10-5-12(19)4-3-11(10)6-14-13(16(23)8-24-2)7-15-18(17(14)20)22-9-21-15/h3-5,7,9H,6,8H2,1-2H3,(H,21,22).
What are the key properties of 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone?
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone has a molecular weight of 346.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-methoxyethanone is sourced from PubChem (CID 58324293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).