1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide

C25H24N4O2 — CID 45187221

IUPAC1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide
SMILESCN(CC(O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C25H24N4O2/c1-28(18-23(30)19-11-5-2-6-12-19)25(31)22-17-29(27-26-22)24(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17,23-24,30H,18H2,1H3
InChIKeyGUYOCDQQRODAQA-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.72
Rot. Bonds7

About 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide

1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide (PubChem CID 45187221) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide
PubChem CID45187221
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide
SMILESCN(CC(O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C25H24N4O2/c1-28(18-23(30)19-11-5-2-6-12-19)25(31)22-17-29(27-26-22)24(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17,23-24,30H,18H2,1H3
InChIKeyGUYOCDQQRODAQA-UHFFFAOYSA-N
XLogP3.72
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide 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-{[1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-[3-(trifluoromethyl)phenyl]-4-piperidinol
CID 42286913
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42376577
2-[4-[[Cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 46863378
2-(4-fluorophenyl)-4-[(1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]morpholine
CID 56891712
2-[4-[[Benzyl(methyl)amino]methyl]triazol-1-yl]-1-phenylethanol
CID 57391979
1-(2-aminoethyl)-N-{2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70731965
1-(2-hydroxy-2-phenylethyl)-N-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 71791904
1-cyclopropyl-N-(1-(4-(1-hydroxy-2-phenylethyl)benzyl)azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132210970
1-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219950
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 45166867
ethyl 4-[1-(2-hydroxy-2-phenylethyl)-1H-1,2,3-triazole-4-carbonyl]piperazine-1-carboxylate
CID 71791907
(1S,2S)-1,2-diphenyl-2-(4-phenyltriazol-1-yl)ethanol
CID 56649161

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide (CID 45187221) is 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide is CN(CC(O)c1ccccc1)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is GUYOCDQQRODAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28(18-23(30)19-11-5-2-6-12-19)25(31)22-17-29(27-26-22)24(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17,23-24,30H,18H2,1H3.
What are the key properties of 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide?
1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-(2-hydroxy-2-phenylethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 45187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).