(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone

C12H12N2O2 — CID 82895758

IUPAC(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
SMILESCOc1cccc(C(=O)c2cncn2C)c1
InChIInChI=1S/C12H12N2O2/c1-14-8-13-7-11(14)12(15)9-4-3-5-10(6-9)16-2/h3-8H,1-2H3
InChIKeyGJJZQIQATTYZCK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.66
Rot. Bonds3

About (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone

(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 82895758) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
PubChem CID82895758
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
SMILESCOc1cccc(C(=O)c2cncn2C)c1
InChIInChI=1S/C12H12N2O2/c1-14-8-13-7-11(14)12(15)9-4-3-5-10(6-9)16-2/h3-8H,1-2H3
InChIKeyGJJZQIQATTYZCK-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)-(3-methylimidazol-4-yl)methanone
CID 35580673
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
4-(3-methoxybenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 43340369
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
CID 82895564
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone (CID 82895758) is (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone is COc1cccc(C(=O)c2cncn2C)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is GJJZQIQATTYZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-8-13-7-11(14)12(15)9-4-3-5-10(6-9)16-2/h3-8H,1-2H3.
What are the key properties of (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone?
(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 82895758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).