2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol

C20H23ClN4O — CID 124821107

IUPAC2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C20H23ClN4O/c1-20(2,14-26)22-12-18-19(16-8-4-3-5-9-16)24-25(23-18)13-15-7-6-10-17(21)11-15/h3-11,22,26H,12-14H2,1-2H3
InChIKeyIXBOGMBSXUSGMF-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.51
Rot. Bonds7

About 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol

2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 124821107) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
PubChem CID124821107
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C20H23ClN4O/c1-20(2,14-26)22-12-18-19(16-8-4-3-5-9-16)24-25(23-18)13-15-7-6-10-17(21)11-15/h3-11,22,26H,12-14H2,1-2H3
InChIKeyIXBOGMBSXUSGMF-UHFFFAOYSA-N
XLogP3.51
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol 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-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 124822569
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124895280
(2S)-2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821510
5-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124787682
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124826431
(1R)-N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylbutan-1-amine
CID 124824014
3-butoxy-N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124822323
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
4-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787503
5-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124800402
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161
(2R)-2-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]butan-1-ol
CID 124820127

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol (CID 124821107) is 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1.
What is the InChIKey of 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is IXBOGMBSXUSGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-20(2,14-26)22-12-18-19(16-8-4-3-5-9-16)24-25(23-18)13-15-7-6-10-17(21)11-15/h3-11,22,26H,12-14H2,1-2H3.
What are the key properties of 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol?
2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 370.88 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 124821107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).