2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone

C24H20N2O4 — CID 45029094

IUPAC2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c(C(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)22(27)15-26-21-6-4-3-5-20(21)25-24(26)23(28)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3
InChIKeyUTNYBTYLRXMDCJ-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.17
Rot. Bonds7

About 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone

2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 45029094) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID45029094
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2c(C(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)22(27)15-26-21-6-4-3-5-20(21)25-24(26)23(28)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3
InChIKeyUTNYBTYLRXMDCJ-UHFFFAOYSA-N
XLogP4.17
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone (CID 45029094) is 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2c(C(=O)c3ccc(OC)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is UTNYBTYLRXMDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)22(27)15-26-21-6-4-3-5-20(21)25-24(26)23(28)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 400.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 45029094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).