1-(3-chloropropyl)-4-methyl-5-phenylimidazole

C13H15ClN2 — CID 10059954

IUPAC1-(3-chloropropyl)-4-methyl-5-phenylimidazole
SMILESCc1ncn(CCCCl)c1-c1ccccc1
InChIInChI=1S/C13H15ClN2/c1-11-13(12-6-3-2-4-7-12)16(10-15-11)9-5-8-14/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPWYOMBNDAHQTRJ-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-chloropropyl)-4-methyl-5-phenylimidazole

1-(3-chloropropyl)-4-methyl-5-phenylimidazole (PubChem CID 10059954) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-methyl-5-phenylimidazole.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-methyl-5-phenylimidazole
PubChem CID10059954
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(3-chloropropyl)-4-methyl-5-phenylimidazole
SMILESCc1ncn(CCCCl)c1-c1ccccc1
InChIInChI=1S/C13H15ClN2/c1-11-13(12-6-3-2-4-7-12)16(10-15-11)9-5-8-14/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyPWYOMBNDAHQTRJ-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloropropyl)-4-methyl-5-phenylimidazole 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-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-(5-chloropentyl)-4,5-dimethylimidazole
CID 62349844
4,5-diphenyl-1-propylimidazole
CID 14950648
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole
CID 50965339
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
3-(3-chloropropyl)-6-methylpyrimidin-4-one
CID 61224365
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
1-(3-chloropropyl)-5,7-dimethyl-4-phenylmethoxybenzimidazole
CID 54216210
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
CID 604974

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-4-methyl-5-phenylimidazole?
The IUPAC name of 1-(3-chloropropyl)-4-methyl-5-phenylimidazole (CID 10059954) is 1-(3-chloropropyl)-4-methyl-5-phenylimidazole.
What is the SMILES notation for 1-(3-chloropropyl)-4-methyl-5-phenylimidazole?
The canonical SMILES for 1-(3-chloropropyl)-4-methyl-5-phenylimidazole is Cc1ncn(CCCCl)c1-c1ccccc1.
What is the InChIKey of 1-(3-chloropropyl)-4-methyl-5-phenylimidazole?
The InChIKey is PWYOMBNDAHQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-11-13(12-6-3-2-4-7-12)16(10-15-11)9-5-8-14/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 1-(3-chloropropyl)-4-methyl-5-phenylimidazole?
1-(3-chloropropyl)-4-methyl-5-phenylimidazole has a molecular weight of 234.73 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-methyl-5-phenylimidazole is sourced from PubChem (CID 10059954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).