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

C14H18ClN3 — CID 106555469

IUPAC1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-4-7-16-14-17-11(3)9-18(14)12-6-5-10(2)13(15)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyHNGNYUSGBZQADO-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.96
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106555469) 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-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106555469
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-4-7-16-14-17-11(3)9-18(14)12-6-5-10(2)13(15)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyHNGNYUSGBZQADO-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106555476
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106580659
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
N-ethyl-4-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106568290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine (CID 106555469) is 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is HNGNYUSGBZQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-7-16-14-17-11(3)9-18(14)12-6-5-10(2)13(15)8-12/h5-6,8-9H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.96, 4 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-propylimidazol-2-amine is sourced from PubChem (CID 106555469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).