(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone

C14H15ClN2O2 — CID 98022056

IUPAC(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)c1nccn1C
InChIInChI=1S/C14H15ClN2O2/c1-8-7-10(19-4)11(9(2)12(8)15)13(18)14-16-5-6-17(14)3/h5-7H,1-4H3
InChIKeyUMNYJYYCGKBQOO-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.93
Rot. Bonds3

About (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone

(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 98022056) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID98022056
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)c1nccn1C
InChIInChI=1S/C14H15ClN2O2/c1-8-7-10(19-4)11(9(2)12(8)15)13(18)14-16-5-6-17(14)3/h5-7H,1-4H3
InChIKeyUMNYJYYCGKBQOO-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 82486462
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 54233902
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 106863437
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641940
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
CID 18332482

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone (CID 98022056) is (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone is COc1cc(C)c(Cl)c(C)c1C(=O)c1nccn1C.
What is the InChIKey of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is UMNYJYYCGKBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-7-10(19-4)11(9(2)12(8)15)13(18)14-16-5-6-17(14)3/h5-7H,1-4H3.
What are the key properties of (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 278.74 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 98022056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).