1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine

C14H18ClN3 — CID 106555482

IUPAC1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(-c2ccc(C)c(Cl)c2)c(NC(C)C)n1
InChIInChI=1S/C14H18ClN3/c1-9(2)16-14-17-11(4)8-18(14)12-6-5-10(3)13(15)7-12/h5-9H,1-4H3,(H,16,17)
InChIKeyYJTMWBMIHMRJJG-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106555482) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106555482
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(-c2ccc(C)c(Cl)c2)c(NC(C)C)n1
InChIInChI=1S/C14H18ClN3/c1-9(2)16-14-17-11(4)8-18(14)12-6-5-10(3)13(15)7-12/h5-9H,1-4H3,(H,16,17)
InChIKeyYJTMWBMIHMRJJG-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106555476
4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
CID 106556563
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106583328
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 107618232
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106555482) is 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine is Cc1cn(-c2ccc(C)c(Cl)c2)c(NC(C)C)n1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is YJTMWBMIHMRJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)16-14-17-11(4)8-18(14)12-6-5-10(3)13(15)7-12/h5-9H,1-4H3,(H,16,17).
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106555482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).