(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone

C11H9ClN2O — CID 110463733

IUPAC(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
SMILESCc1c(Cl)cccc1C(=O)n1ccnc1
InChIInChI=1S/C11H9ClN2O/c1-8-9(3-2-4-10(8)12)11(15)14-6-5-13-7-14/h2-7H,1H3
InChIKeyJUEQUQGECFLVKJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.53
Rot. Bonds1

About (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone

(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone (PubChem CID 110463733) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
PubChem CID110463733
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
SMILESCc1c(Cl)cccc1C(=O)n1ccnc1
InChIInChI=1S/C11H9ClN2O/c1-8-9(3-2-4-10(8)12)11(15)14-6-5-13-7-14/h2-7H,1H3
InChIKeyJUEQUQGECFLVKJ-UHFFFAOYSA-N
XLogP2.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

imidazol-1-yl-(2-methyl-3-pyridinyl)methanone
CID 66563654
[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
CID 110463462
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 67414581
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
acridin-4-yl(imidazol-1-yl)methanone
CID 10849851
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone
CID 95927975
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone?
The IUPAC name of (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone (CID 110463733) is (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone is Cc1c(Cl)cccc1C(=O)n1ccnc1.
What is the InChIKey of (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone?
The InChIKey is JUEQUQGECFLVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8-9(3-2-4-10(8)12)11(15)14-6-5-13-7-14/h2-7H,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone?
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone has a molecular weight of 220.66 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-imidazol-1-ylmethanone is sourced from PubChem (CID 110463733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).