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

C16H14N2O2 — CID 711821

IUPAC(2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
SMILESCOc1ccccc1C(=O)c1nc2ccccc2n1C
InChIInChI=1S/C16H14N2O2/c1-18-13-9-5-4-8-12(13)17-16(18)15(19)11-7-3-6-10-14(11)20-2/h3-10H,1-2H3
InChIKeyKLFZKFQTLAFHED-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.81
Rot. Bonds3

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

(2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone (PubChem CID 711821) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
PubChem CID711821
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
SMILESCOc1ccccc1C(=O)c1nc2ccccc2n1C
InChIInChI=1S/C16H14N2O2/c1-18-13-9-5-4-8-12(13)17-16(18)15(19)11-7-3-6-10-14(11)20-2/h3-10H,1-2H3
InChIKeyKLFZKFQTLAFHED-UHFFFAOYSA-N
XLogP2.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone (CID 711821) is (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone is COc1ccccc1C(=O)c1nc2ccccc2n1C.
What is the InChIKey of (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone?
The InChIKey is KLFZKFQTLAFHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-13-9-5-4-8-12(13)17-16(18)15(19)11-7-3-6-10-14(11)20-2/h3-10H,1-2H3.
What are the key properties of (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone?
(2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 711821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).