5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine

C23H36ClN3 — CID 50941055

IUPAC5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
SMILESCCCCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C23H36ClN3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22(19-26-23(27)25)20-14-16-21(24)17-15-20/h14-17,19H,2-13,18H2,1H3,(H2,25,26)
InChIKeyCIOGMKPOICVPSN-UHFFFAOYSA-N
MW390.02 g/mol
LogP7.49
Rot. Bonds14

About 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine

5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine (PubChem CID 50941055) has the molecular formula C23H36ClN3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
PubChem CID50941055
Molecular FormulaC23H36ClN3
Molecular Weight390.02 g/mol
Exact Mass389.26
IUPAC Name5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
SMILESCCCCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C23H36ClN3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22(19-26-23(27)25)20-14-16-21(24)17-15-20/h14-17,19H,2-13,18H2,1H3,(H2,25,26)
InChIKeyCIOGMKPOICVPSN-UHFFFAOYSA-N
XLogP7.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.02
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-1-tetradecylimidazol-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

5-(4-chlorophenyl)-1-decylimidazol-2-amine
CID 50941029
5-(4-phenylphenyl)-1-undecylimidazol-2-amine
CID 50941063
5-phenyl-1-tridecylimidazol-2-amine
CID 50941022
5-(4-methoxyphenyl)-1-octylimidazol-2-amine
CID 50941070
1-pentyl-5-phenylimidazol-2-amine
CID 6917245
5-(4-bromophenyl)-1-ethylimidazol-2-amine
CID 6917234
5-(3,4-dichlorophenyl)-1-(2-ethoxyethyl)imidazol-2-amine
CID 71564795
5-(4-tert-butylphenyl)-1-(2-ethoxyethyl)imidazol-2-amine
CID 71564796
6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
CID 67355313
3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63469463
3-amino-6-(4-nitrophenyl)-1-pentylpyridin-2-one
CID 82467243
2-(1-butyl-5-phenylimidazol-2-yl)sulfanylacetic acid
CID 43327210

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine (CID 50941055) is 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine is CCCCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine?
The InChIKey is CIOGMKPOICVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClN3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22(19-26-23(27)25)20-14-16-21(24)17-15-20/h14-17,19H,2-13,18H2,1H3,(H2,25,26).
What are the key properties of 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine?
5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine has a molecular weight of 390.02 g/mol, XLogP of 7.49, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine is sourced from PubChem (CID 50941055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).