4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole

C16H17Cl2N5 — CID 118870184

IUPAC4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole
SMILESCCCCc1nccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C16H17Cl2N5/c1-2-3-4-16-19-7-8-22(16)10-12-11-23(21-20-12)13-5-6-14(17)15(18)9-13/h5-9,11H,2-4,10H2,1H3
InChIKeyFABOZFZSWJBLAK-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.16
Rot. Bonds6

About 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole

4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole (PubChem CID 118870184) has the molecular formula C16H17Cl2N5 and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole.

Molecular Properties

Compound Name4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole
PubChem CID118870184
Molecular FormulaC16H17Cl2N5
Molecular Weight350.25 g/mol
Exact Mass349.09
IUPAC Name4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole
SMILESCCCCc1nccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C16H17Cl2N5/c1-2-3-4-16-19-7-8-22(16)10-12-11-23(21-20-12)13-5-6-14(17)15(18)9-13/h5-9,11H,2-4,10H2,1H3
InChIKeyFABOZFZSWJBLAK-UHFFFAOYSA-N
XLogP4.16
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole?
The IUPAC name of 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole (CID 118870184) is 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole.
What is the SMILES notation for 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole?
The canonical SMILES for 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole is CCCCc1nccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole?
The InChIKey is FABOZFZSWJBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5/c1-2-3-4-16-19-7-8-22(16)10-12-11-23(21-20-12)13-5-6-14(17)15(18)9-13/h5-9,11H,2-4,10H2,1H3.
What are the key properties of 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole?
4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole has a molecular weight of 350.25 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butylimidazol-1-yl)methyl]-1-(3,4-dichlorophenyl)triazole is sourced from PubChem (CID 118870184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).