(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone

C12H11ClN2O — CID 106863437

IUPAC(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCc1ccc(C(=O)c2nccn2C)c(Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-9(10(13)7-8)11(16)12-14-5-6-15(12)2/h3-7H,1-2H3
InChIKeyCRXBXNUNZDMFCN-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.61
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone

(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 106863437) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID106863437
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCc1ccc(C(=O)c2nccn2C)c(Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-9(10(13)7-8)11(16)12-14-5-6-15(12)2/h3-7H,1-2H3
InChIKeyCRXBXNUNZDMFCN-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 82772383
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 106761879
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 82486462
(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 54233902
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
CID 106864959
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
N-(2-chloro-4-methylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)-2-nitroanilino]acetamide
CID 133305888
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-(1-methylimidazol-2-yl)methanone
CID 18332482
(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
CID 112731494

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone (CID 106863437) is (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone is Cc1ccc(C(=O)c2nccn2C)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is CRXBXNUNZDMFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-4-9(10(13)7-8)11(16)12-14-5-6-15(12)2/h3-7H,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone?
(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 234.69 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 106863437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).