4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole

C17H18ClF2N5O — CID 118870141

IUPAC4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole
SMILESCC(C)(C)c1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C17H18ClF2N5O/c1-17(2,3)15-21-6-7-24(15)9-11-10-25(23-22-11)12-4-5-13(18)14(8-12)26-16(19)20/h4-8,10,16H,9H2,1-3H3
InChIKeyNXVWMYHMJCGROD-UHFFFAOYSA-N
MW381.81 g/mol
LogP4.06
Rot. Bonds5

About 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole

4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole (PubChem CID 118870141) has the molecular formula C17H18ClF2N5O and a molecular weight of 381.81 g/mol. Its IUPAC name is 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole.

Molecular Properties

Compound Name4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole
PubChem CID118870141
Molecular FormulaC17H18ClF2N5O
Molecular Weight381.81 g/mol
Exact Mass381.12
IUPAC Name4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole
SMILESCC(C)(C)c1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C17H18ClF2N5O/c1-17(2,3)15-21-6-7-24(15)9-11-10-25(23-22-11)12-4-5-13(18)14(8-12)26-16(19)20/h4-8,10,16H,9H2,1-3H3
InChIKeyNXVWMYHMJCGROD-UHFFFAOYSA-N
XLogP4.06
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]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-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole?
The IUPAC name of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole (CID 118870141) is 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole.
What is the SMILES notation for 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole?
The canonical SMILES for 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole is CC(C)(C)c1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1.
What is the InChIKey of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole?
The InChIKey is NXVWMYHMJCGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N5O/c1-17(2,3)15-21-6-7-24(15)9-11-10-25(23-22-11)12-4-5-13(18)14(8-12)26-16(19)20/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole?
4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole has a molecular weight of 381.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylimidazol-1-yl)methyl]-1-[4-chloro-3-(difluoromethoxy)phenyl]triazole is sourced from PubChem (CID 118870141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).