3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one

C24H22N2O2 — CID 158587879

IUPAC3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1
InChIInChI=1S/C24H22N2O2/c1-17-6-5-8-20(14-17)26-16-25-21-15-19(10-12-22(21)26)23(27)13-11-18-7-3-4-9-24(18)28-2/h3-10,12,14-16H,11,13H2,1-2H3
InChIKeyRQHNDTOAXYUKTC-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.16
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one

3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one (PubChem CID 158587879) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
PubChem CID158587879
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1
InChIInChI=1S/C24H22N2O2/c1-17-6-5-8-20(14-17)26-16-25-21-15-19(10-12-22(21)26)23(27)13-11-18-7-3-4-9-24(18)28-2/h3-10,12,14-16H,11,13H2,1-2H3
InChIKeyRQHNDTOAXYUKTC-UHFFFAOYSA-N
XLogP5.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
CID 59372972
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide
CID 24768668
[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 144712535
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 136553580
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
[1-(3-methylphenyl)benzimidazol-5-yl]-(5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 167750239

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one (CID 158587879) is 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one is COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The InChIKey is RQHNDTOAXYUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-6-5-8-20(14-17)26-16-25-21-15-19(10-12-22(21)26)23(27)13-11-18-7-3-4-9-24(18)28-2/h3-10,12,14-16H,11,13H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one has a molecular weight of 370.45 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 158587879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).