[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone

C25H18N2O2 — CID 134156578

IUPAC[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc(-c2nc3ccccc3n2C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H18N2O2/c1-29-19-15-13-18(14-16-19)24-26-22-11-4-5-12-23(22)27(24)25(28)21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
InChIKeyMMGRWMUFGYUWDV-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.55
Rot. Bonds3

About [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone

[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone (PubChem CID 134156578) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
PubChem CID134156578
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc(-c2nc3ccccc3n2C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H18N2O2/c1-29-19-15-13-18(14-16-19)24-26-22-11-4-5-12-23(22)27(24)25(28)21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
InChIKeyMMGRWMUFGYUWDV-UHFFFAOYSA-N
XLogP5.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone (CID 134156578) is [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone is COc1ccc(-c2nc3ccccc3n2C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is MMGRWMUFGYUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-29-19-15-13-18(14-16-19)24-26-22-11-4-5-12-23(22)27(24)25(28)21-10-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3.
What are the key properties of [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone?
[2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 378.43 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)benzimidazol-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 134156578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).