1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole

C14H14ClN5 — CID 118870095

IUPAC1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole
SMILESCCc1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C14H14ClN5/c1-2-14-16-7-8-19(14)9-12-10-20(18-17-12)13-5-3-11(15)4-6-13/h3-8,10H,2,9H2,1H3
InChIKeyUHCWOUZOICIRGT-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole

1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole (PubChem CID 118870095) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole
PubChem CID118870095
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole
SMILESCCc1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C14H14ClN5/c1-2-14-16-7-8-19(14)9-12-10-20(18-17-12)13-5-3-11(15)4-6-13/h3-8,10H,2,9H2,1H3
InChIKeyUHCWOUZOICIRGT-UHFFFAOYSA-N
XLogP2.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-1H-imidazole
CID 142859
US9981950, Example 113A
CID 118870116
US10323021, Example 114
CID 138718719
6,8-Dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415321
N-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-4H-1,2,4-triazol-4-amine
CID 6858845
N-(4-chlorophenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 44578569
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 16190534
US9981950, Example 58
CID 118870061
US9981950, Example 91
CID 118870069
US9981950, Example 92
CID 118870070
US9981950, Example 90
CID 118870075
US9981950, Example 42
CID 118870081

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole (CID 118870095) is 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole is CCc1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole?
The InChIKey is UHCWOUZOICIRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-2-14-16-7-8-19(14)9-12-10-20(18-17-12)13-5-3-11(15)4-6-13/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole?
1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole has a molecular weight of 287.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).