2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine

C14H18ClN3 — CID 65233463

IUPAC2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cccc(Cl)c2)c(C)[nH]1
InChIInChI=1S/C14H18ClN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyJNHYHNVWPJESIW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine

2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine (PubChem CID 65233463) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
PubChem CID65233463
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2cccc(Cl)c2)c(C)[nH]1
InChIInChI=1S/C14H18ClN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyJNHYHNVWPJESIW-UHFFFAOYSA-N
XLogP3.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-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

2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 114872284
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 43649836
3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
CID 79813477
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
CID 141255860
2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 65231043
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230342
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine (CID 65233463) is 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine is CCC(CN)c1nc(-c2cccc(Cl)c2)c(C)[nH]1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is JNHYHNVWPJESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-10(8-16)14-17-9(2)13(18-14)11-5-4-6-12(15)7-11/h4-7,10H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine?
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 65233463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).