(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone

C16H14N2O2 — CID 3258886

IUPAC(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-11-17-14-5-3-4-6-15(14)18(11)16(19)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3
InChIKeyHETHTXFPJGGKQC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.04
Rot. Bonds2

About (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone

(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone (PubChem CID 3258886) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone
PubChem CID3258886
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone
SMILESCOc1ccc(C(=O)n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-11-17-14-5-3-4-6-15(14)18(11)16(19)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3
InChIKeyHETHTXFPJGGKQC-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone (CID 3258886) is (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone is COc1ccc(C(=O)n2c(C)nc3ccccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone?
The InChIKey is HETHTXFPJGGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-17-14-5-3-4-6-15(14)18(11)16(19)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone?
(4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 3258886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).