4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole

C19H23N5 — CID 95203761

IUPAC4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole
SMILESc1ccc([C@H](Cn2ccnc2)n2cc(C3CCCCC3)nn2)cc1
InChIInChI=1S/C19H23N5/c1-3-7-16(8-4-1)18-13-24(22-21-18)19(14-23-12-11-20-15-23)17-9-5-2-6-10-17/h2,5-6,9-13,15-16,19H,1,3-4,7-8,14H2/t19-/m0/s1
InChIKeyBTZYLATZIQVQQC-IBGZPJMESA-N
MW321.43 g/mol
LogP3.81
Rot. Bonds5

About 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole

4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole (PubChem CID 95203761) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole.

Molecular Properties

Compound Name4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole
PubChem CID95203761
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole
SMILESc1ccc([C@H](Cn2ccnc2)n2cc(C3CCCCC3)nn2)cc1
InChIInChI=1S/C19H23N5/c1-3-7-16(8-4-1)18-13-24(22-21-18)19(14-23-12-11-20-15-23)17-9-5-2-6-10-17/h2,5-6,9-13,15-16,19H,1,3-4,7-8,14H2/t19-/m0/s1
InChIKeyBTZYLATZIQVQQC-IBGZPJMESA-N
XLogP3.81
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole?
The IUPAC name of 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole (CID 95203761) is 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole.
What is the SMILES notation for 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole?
The canonical SMILES for 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole is c1ccc([C@H](Cn2ccnc2)n2cc(C3CCCCC3)nn2)cc1.
What is the InChIKey of 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole?
The InChIKey is BTZYLATZIQVQQC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5/c1-3-7-16(8-4-1)18-13-24(22-21-18)19(14-23-12-11-20-15-23)17-9-5-2-6-10-17/h2,5-6,9-13,15-16,19H,1,3-4,7-8,14H2/t19-/m0/s1.
What are the key properties of 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole?
4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole has a molecular weight of 321.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole is sourced from PubChem (CID 95203761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).