1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole

C15H19ClN2 — CID 101370154

IUPAC1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
SMILESCC(C)(C)C(Cl)c1nccn1Cc1ccccc1
InChIInChI=1S/C15H19ClN2/c1-15(2,3)13(16)14-17-9-10-18(14)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3
InChIKeyZCRFQXIPUHFWLX-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.26
Rot. Bonds3

About 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole

1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole (PubChem CID 101370154) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole.

Molecular Properties

Compound Name1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
PubChem CID101370154
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
SMILESCC(C)(C)C(Cl)c1nccn1Cc1ccccc1
InChIInChI=1S/C15H19ClN2/c1-15(2,3)13(16)14-17-9-10-18(14)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3
InChIKeyZCRFQXIPUHFWLX-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.26
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

1-benzyl-2-methylimidazole
CID 158634472
1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
1-benzyl-2-chloroimidazole
CID 11629752
(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
CID 40899908
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
1-benzyl-2-(2-methyl-1,2-diphenylicosan-3-yl)imidazole
CID 69396886
(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
CID 699896
2-(2,4-dimethyl-1,2-diphenylpentan-3-yl)-1-ethylimidazole
CID 69408829
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate
CID 20614413

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole?
The IUPAC name of 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole (CID 101370154) is 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole.
What is the SMILES notation for 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole?
The canonical SMILES for 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole is CC(C)(C)C(Cl)c1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole?
The InChIKey is ZCRFQXIPUHFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-15(2,3)13(16)14-17-9-10-18(14)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3.
What are the key properties of 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole?
1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole has a molecular weight of 262.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole is sourced from PubChem (CID 101370154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).