1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole

C16H12ClN5 — CID 122196140

IUPAC1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole
SMILESClc1ccc(-n2cc(Cn3cnc4ccccc43)nn2)cc1
InChIInChI=1S/C16H12ClN5/c17-12-5-7-14(8-6-12)22-10-13(19-20-22)9-21-11-18-15-3-1-2-4-16(15)21/h1-8,10-11H,9H2
InChIKeyLKMTUGDORCAROE-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.32
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole (PubChem CID 122196140) has the molecular formula C16H12ClN5 and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole
PubChem CID122196140
Molecular FormulaC16H12ClN5
Molecular Weight309.76 g/mol
Exact Mass309.08
IUPAC Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole
SMILESClc1ccc(-n2cc(Cn3cnc4ccccc43)nn2)cc1
InChIInChI=1S/C16H12ClN5/c17-12-5-7-14(8-6-12)22-10-13(19-20-22)9-21-11-18-15-3-1-2-4-16(15)21/h1-8,10-11H,9H2
InChIKeyLKMTUGDORCAROE-UHFFFAOYSA-N
XLogP3.32
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole (CID 122196140) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole is Clc1ccc(-n2cc(Cn3cnc4ccccc43)nn2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole?
The InChIKey is LKMTUGDORCAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5/c17-12-5-7-14(8-6-12)22-10-13(19-20-22)9-21-11-18-15-3-1-2-4-16(15)21/h1-8,10-11H,9H2.
What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole?
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole has a molecular weight of 309.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]benzimidazole is sourced from PubChem (CID 122196140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).