2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole

C18H25ClN2 — CID 70411888

IUPAC2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1CC(C)CCl
InChIInChI=1S/C18H25ClN2/c1-12(11-19)10-16-13(2)20-17(21-16)14-6-8-15(9-7-14)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,21)
InChIKeyVJGYUBBDCUREQB-UHFFFAOYSA-N
MW304.87 g/mol
LogP5.10
Rot. Bonds4

About 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole

2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole (PubChem CID 70411888) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole
PubChem CID70411888
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1CC(C)CCl
InChIInChI=1S/C18H25ClN2/c1-12(11-19)10-16-13(2)20-17(21-16)14-6-8-15(9-7-14)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,21)
InChIKeyVJGYUBBDCUREQB-UHFFFAOYSA-N
XLogP5.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.87
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole;hydrochloride
CID 70411370
4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole
CID 70412607
1-[bis(4-tert-butylphenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106706
4-[4-(chloromethyl)-5-methyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 59059175
[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
CID 82288528
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365
2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
CID 82293864
4-[4-(hydroxymethyl)-5-methyl-1H-imidazol-2-yl]phenol
CID 135671336
3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol
CID 70412213
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
CID 44512575
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine
CID 22412025

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole (CID 70411888) is 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole is Cc1[nH]c(-c2ccc(C(C)(C)C)cc2)nc1CC(C)CCl.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole?
The InChIKey is VJGYUBBDCUREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-12(11-19)10-16-13(2)20-17(21-16)14-6-8-15(9-7-14)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole?
2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole has a molecular weight of 304.87 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-(3-chloro-2-methylpropyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 70411888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).