2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole

C15H12N4O — CID 14174658

IUPAC2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCOc1ccc(-c2nc3nc4ccccc4n3[nH]2)cc1
InChIInChI=1S/C15H12N4O/c1-20-11-8-6-10(7-9-11)14-17-15-16-12-4-2-3-5-13(12)19(15)18-14/h2-9H,1H3,(H,16,17,18)
InChIKeyXTXVMZNAACAQOL-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.89
Rot. Bonds2

About 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole

2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole (PubChem CID 14174658) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole
PubChem CID14174658
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole
SMILESCOc1ccc(-c2nc3nc4ccccc4n3[nH]2)cc1
InChIInChI=1S/C15H12N4O/c1-20-11-8-6-10(7-9-11)14-17-15-16-12-4-2-3-5-13(12)19(15)18-14/h2-9H,1H3,(H,16,17,18)
InChIKeyXTXVMZNAACAQOL-UHFFFAOYSA-N
XLogP2.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11580142
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
2-(4-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253879
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
4-methoxy-2-(4-methoxyphenyl)imidazo[1,2-a]quinoxaline
CID 67547841
5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 141255708
5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 151304160
2-[3-(4-hydroxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]-5-methoxyphenol
CID 141255709
5-methoxy-2-[3-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-2-yl]benzene-1,3-diol
CID 141255693
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
1-(4-methoxyphenyl)-3H-pyrrolo[1,2-a]benzimidazole
CID 122548276

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole (CID 14174658) is 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole is COc1ccc(-c2nc3nc4ccccc4n3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
The InChIKey is XTXVMZNAACAQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-11-8-6-10(7-9-11)14-17-15-16-12-4-2-3-5-13(12)19(15)18-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole?
2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole has a molecular weight of 264.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole is sourced from PubChem (CID 14174658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).