2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol

C23H24N4O — CID 3561281

IUPAC2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)C(c2ccc(N(C)C)cc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C23H24N4O/c1-16-8-10-18(11-9-16)23(28)22(17-12-14-19(15-13-17)26(2)3)27-21-7-5-4-6-20(21)24-25-27/h4-15,22-23,28H,1-3H3
InChIKeyQYCNMDRXNGPOMZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.13
Rot. Bonds5

About 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol

2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol (PubChem CID 3561281) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol
PubChem CID3561281
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)C(c2ccc(N(C)C)cc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C23H24N4O/c1-16-8-10-18(11-9-16)23(28)22(17-12-14-19(15-13-17)26(2)3)27-21-7-5-4-6-20(21)24-25-27/h4-15,22-23,28H,1-3H3
InChIKeyQYCNMDRXNGPOMZ-UHFFFAOYSA-N
XLogP4.13
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline
CID 3784942
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
CID 4269444
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
2-(benzotriazol-1-yl)-2-(4-methylphenyl)-1-thiophen-2-ylethanone
CID 3425025
N-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)but-3-enyl]-4-methylaniline
CID 44890597
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
1-(benzotriazol-1-yl)-3-methyl-1-(2-trimethylsilyloxyphenyl)butan-2-ol
CID 10384482
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-[4-(dimethylamino)phenyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312672
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686
benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol
CID 4588945
N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-4-methylaniline
CID 3681820

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol (CID 3561281) is 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)C(c2ccc(N(C)C)cc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol?
The InChIKey is QYCNMDRXNGPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-8-10-18(11-9-16)23(28)22(17-12-14-19(15-13-17)26(2)3)27-21-7-5-4-6-20(21)24-25-27/h4-15,22-23,28H,1-3H3.
What are the key properties of 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol?
2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol has a molecular weight of 372.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-2-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 3561281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).