1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol

C14H15N5O — CID 142479473

IUPAC1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c1-11(20)14-15-7-8-18(14)10-12-9-16-19(17-12)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3
InChIKeyMVRKTSIXWKPVGG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol

1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol (PubChem CID 142479473) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol
PubChem CID142479473
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c1-11(20)14-15-7-8-18(14)10-12-9-16-19(17-12)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3
InChIKeyMVRKTSIXWKPVGG-UHFFFAOYSA-N
XLogP1.57
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol (CID 142479473) is 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol is CC(O)c1nccn1Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol?
The InChIKey is MVRKTSIXWKPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-11(20)14-15-7-8-18(14)10-12-9-16-19(17-12)13-5-3-2-4-6-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol?
1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-phenyltriazol-4-yl)methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 142479473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).