2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone

C23H18N2O3 — CID 45029092

IUPAC2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c(C(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-28-18-13-11-16(12-14-18)21(26)15-25-20-10-6-5-9-19(20)24-23(25)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyBLEYEEGLQQKZIS-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.16
Rot. Bonds6

About 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone

2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 45029092) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID45029092
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c(C(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-28-18-13-11-16(12-14-18)21(26)15-25-20-10-6-5-9-19(20)24-23(25)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyBLEYEEGLQQKZIS-UHFFFAOYSA-N
XLogP4.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone (CID 45029092) is 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2c(C(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is BLEYEEGLQQKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-28-18-13-11-16(12-14-18)21(26)15-25-20-10-6-5-9-19(20)24-23(25)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 370.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 45029092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).