1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C14H18ClN3O — CID 106558500

IUPAC1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-10-8-18(13-6-4-12(15)5-7-13)14(16-10)17-11(2)9-19-3/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyNQCYKYZDIWXODJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106558500) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106558500
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-10-8-18(13-6-4-12(15)5-7-13)14(16-10)17-11(2)9-19-3/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyNQCYKYZDIWXODJ-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106561052
1-(3-iodophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106554234
1-(3-fluoro-5-methylphenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106576229
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-[1-(3-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106566703
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864
N-(1-methoxypentan-2-yl)-4-methyl-1-phenylimidazol-2-amine
CID 106574831
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106583328
1-[1-(dimethylamino)propan-2-yl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106578638
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106558500) is 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)Nc1nc(C)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is NQCYKYZDIWXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-8-18(13-6-4-12(15)5-7-13)14(16-10)17-11(2)9-19-3/h4-8,11H,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106558500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).