benzimidazol-1-yl-(4-methoxyphenyl)methanone

C15H12N2O2 — CID 710646

IUPACbenzimidazol-1-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-12-8-6-11(7-9-12)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyKRIWMLYYGXHCKE-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.73
Rot. Bonds2

About benzimidazol-1-yl-(4-methoxyphenyl)methanone

benzimidazol-1-yl-(4-methoxyphenyl)methanone (PubChem CID 710646) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzimidazol-1-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl-(4-methoxyphenyl)methanone
PubChem CID710646
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namebenzimidazol-1-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-12-8-6-11(7-9-12)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyKRIWMLYYGXHCKE-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl-(4-methoxyphenyl)methanone?
The IUPAC name of benzimidazol-1-yl-(4-methoxyphenyl)methanone (CID 710646) is benzimidazol-1-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for benzimidazol-1-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for benzimidazol-1-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of benzimidazol-1-yl-(4-methoxyphenyl)methanone?
The InChIKey is KRIWMLYYGXHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-8-6-11(7-9-12)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of benzimidazol-1-yl-(4-methoxyphenyl)methanone?
benzimidazol-1-yl-(4-methoxyphenyl)methanone has a molecular weight of 252.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 710646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).