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

C15H16ClN5 — CID 118870063

IUPAC1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole
SMILESCCCc1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H16ClN5/c1-2-3-15-17-8-9-20(15)10-13-11-21(19-18-13)14-6-4-12(16)5-7-14/h4-9,11H,2-3,10H2,1H3
InChIKeyAYJDATHUPMMOSP-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.12
Rot. Bonds5

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

1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole (PubChem CID 118870063) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole
PubChem CID118870063
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole
SMILESCCCc1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H16ClN5/c1-2-3-15-17-8-9-20(15)10-13-11-21(19-18-13)14-6-4-12(16)5-7-14/h4-9,11H,2-3,10H2,1H3
InChIKeyAYJDATHUPMMOSP-UHFFFAOYSA-N
XLogP3.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[(2-propylimidazol-1-yl)methyl]pyridazine
CID 104513977
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 178201309
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66205851
4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]-1-(3-methylsulfonylphenyl)triazole
CID 118870126
1-(4-butylphenyl)-4-(chloromethyl)triazole
CID 55066853
[1-(4-propylphenyl)triazol-4-yl]methanol
CID 59667719
(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine
CID 70951101
1-(4-chlorophenyl)-4-[(5-cyclopropyl-1,2,4-triazol-1-yl)methyl]triazole
CID 118870124
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
CID 106269522
[2-[(2-propylimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259010

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole (CID 118870063) is 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole is CCCc1nccn1Cc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole?
The InChIKey is AYJDATHUPMMOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-2-3-15-17-8-9-20(15)10-13-11-21(19-18-13)14-6-4-12(16)5-7-14/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole?
1-(4-chlorophenyl)-4-[(2-propylimidazol-1-yl)methyl]triazole has a molecular weight of 301.78 g/mol, XLogP of 3.12, 5 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-propylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).