[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone

C12H10Cl2N2O — CID 10038706

IUPAC[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone
SMILESCn1c(CCl)cnc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N2O/c1-16-10(6-13)7-15-12(16)11(17)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3
InChIKeyYBSMGNVJUDGSPE-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.04
Rot. Bonds3

About [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone

[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone (PubChem CID 10038706) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone
PubChem CID10038706
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone
SMILESCn1c(CCl)cnc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N2O/c1-16-10(6-13)7-15-12(16)11(17)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3
InChIKeyYBSMGNVJUDGSPE-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
(4-chlorophenyl)-[2-(2-hydroxyethylsulfanyl)-3-methylimidazol-4-yl]methanone
CID 11716333
(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone
CID 143373797
(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone
CID 44571278
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;dihydrate
CID 67900085
[1-(2-aminoethyl)triazol-4-yl]-(4-chlorophenyl)methanone
CID 116583092
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
(4-chlorophenyl)-(1H-imidazol-5-yl)methanone
CID 3851790
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192837
6-(4-chlorobenzoyl)-3-methyl-1,3-benzoselenazol-2-one
CID 10089265
4-bromo-2-(carboxymethyl)-5-(4-chlorobenzoyl)-1-methylpyrrole-3-carboxylic acid
CID 21411959
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone (CID 10038706) is [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone is Cn1c(CCl)cnc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone?
The InChIKey is YBSMGNVJUDGSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-16-10(6-13)7-15-12(16)11(17)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone?
[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone has a molecular weight of 269.13 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 10038706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).