1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole

C23H21N3O — CID 54771567

IUPAC1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole
SMILESCc1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C23H21N3O/c1-18-12-14-22(15-13-18)27-17-21-16-26(25-24-21)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23H,17H2,1H3
InChIKeySDBRJYKIAZXQCG-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.80
Rot. Bonds6

About 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole

1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole (PubChem CID 54771567) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole.

Molecular Properties

Compound Name1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole
PubChem CID54771567
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole
SMILESCc1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1
InChIInChI=1S/C23H21N3O/c1-18-12-14-22(15-13-18)27-17-21-16-26(25-24-21)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23H,17H2,1H3
InChIKeySDBRJYKIAZXQCG-UHFFFAOYSA-N
XLogP4.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
1-[(3-Methoxyphenyl)methyl]-4-(4-pentylphenyl)triazole
CID 24789346
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
4-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
CID 24793540
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
4-[4-[(4-Fluorophenoxy)methyl]triazol-1-yl]chromen-2-one
CID 76314297
[3-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145960713
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145962350
(Z)-4-[4-[(4-tert-butylphenoxy)methyl]triazol-1-yl]-3-fluorobut-2-en-1-amine;hydrochloride
CID 155527512
4-hydroxy-6-methyl-3-[(E)-3-[4-[[1-[(3-methylphenyl)methyl]triazol-4-yl]methoxy]phenyl]prop-2-enoyl]pyran-2-one
CID 162650773
3-[(E)-3-[4-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 162656387

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole?
The IUPAC name of 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole (CID 54771567) is 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole.
What is the SMILES notation for 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole?
The canonical SMILES for 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole is Cc1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole?
The InChIKey is SDBRJYKIAZXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-18-12-14-22(15-13-18)27-17-21-16-26(25-24-21)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23H,17H2,1H3.
What are the key properties of 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole?
1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole has a molecular weight of 355.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(4-methylphenoxy)methyl]triazole is sourced from PubChem (CID 54771567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).