5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole

C15H19ClN2 — CID 113472626

IUPAC5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole
SMILESCC(C)(CCc1ccccc1)n1cncc1CCl
InChIInChI=1S/C15H19ClN2/c1-15(2,18-12-17-11-14(18)10-16)9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyCTZUEDBTYUWLRG-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.99
Rot. Bonds5

About 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole

5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole (PubChem CID 113472626) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole
PubChem CID113472626
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole
SMILESCC(C)(CCc1ccccc1)n1cncc1CCl
InChIInChI=1S/C15H19ClN2/c1-15(2,18-12-17-11-14(18)10-16)9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyCTZUEDBTYUWLRG-UHFFFAOYSA-N
XLogP3.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.99
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

5-benzyl-1-(3,3-dimethylbutyl)imidazole
CID 59892115
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol
CID 114204804
1-(3-benzylimidazol-4-yl)-5-(2,6-dimethylphenyl)-3-[2-(2,6-dimethylphenyl)ethyl]pentan-3-ol;hydrochloride
CID 14535968
1-benzyl-5-butylimidazole
CID 10059100
5-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]imidazole
CID 66151874
3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
benzene;2-phenylethylbenzene
CID 18982764
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole (CID 113472626) is 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole is CC(C)(CCc1ccccc1)n1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole?
The InChIKey is CTZUEDBTYUWLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-15(2,18-12-17-11-14(18)10-16)9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole?
5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole has a molecular weight of 262.78 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-methyl-4-phenylbutan-2-yl)imidazole is sourced from PubChem (CID 113472626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).