1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole

C11H10Cl2N2 — CID 28946545

IUPAC1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
SMILESCc1nccn1-c1cccc(Cl)c1CCl
InChIInChI=1S/C11H10Cl2N2/c1-8-14-5-6-15(8)11-4-2-3-10(13)9(11)7-12/h2-6H,7H2,1H3
InChIKeyOOPOEIBSFXBQIC-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.57
Rot. Bonds2

About 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole

1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole (PubChem CID 28946545) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
PubChem CID28946545
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
SMILESCc1nccn1-c1cccc(Cl)c1CCl
InChIInChI=1S/C11H10Cl2N2/c1-8-14-5-6-15(8)11-4-2-3-10(13)9(11)7-12/h2-6H,7H2,1H3
InChIKeyOOPOEIBSFXBQIC-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-methylimidazol-1-yl)aniline;hydrochloride
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(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
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2-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]acetonitrile
CID 84795090
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
3-amino-1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]propan-1-one
CID 117414134
1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 99951684
2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
CID 83821528
4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 92679891
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole?
The IUPAC name of 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole (CID 28946545) is 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole?
The canonical SMILES for 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole is Cc1nccn1-c1cccc(Cl)c1CCl.
What is the InChIKey of 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole?
The InChIKey is OOPOEIBSFXBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-8-14-5-6-15(8)11-4-2-3-10(13)9(11)7-12/h2-6H,7H2,1H3.
What are the key properties of 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole?
1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole has a molecular weight of 241.12 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole is sourced from PubChem (CID 28946545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).