6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole

C19H19N5O2 — CID 53379083

IUPAC6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1OC
InChIInChI=1S/C19H19N5O2/c1-25-18-6-3-13(9-19(18)26-2)7-8-24-11-17(22-23-24)14-4-5-15-16(10-14)21-12-20-15/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)
InChIKeyWUSACXJBMWPPPL-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.08
Rot. Bonds6

About 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole

6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole (PubChem CID 53379083) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
PubChem CID53379083
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1OC
InChIInChI=1S/C19H19N5O2/c1-25-18-6-3-13(9-19(18)26-2)7-8-24-11-17(22-23-24)14-4-5-15-16(10-14)21-12-20-15/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)
InChIKeyWUSACXJBMWPPPL-UHFFFAOYSA-N
XLogP3.08
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228
1-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-2-amine
CID 91801232
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole
CID 156619925
N-(2-(1H-imidazol-4-yl)ethyl)-3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-yl)-3-methylphenoxy)propan-1-amine
CID 46235428
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 16010752
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 16195313
N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1H-benzimidazol-2-amine
CID 3116461
2-(3,4-Dimethoxy-phenyl)-1H-imidazo[4,5-c]pyridine
CID 9551687

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole (CID 53379083) is 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole is COc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1OC.
What is the InChIKey of 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
The InChIKey is WUSACXJBMWPPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-25-18-6-3-13(9-19(18)26-2)7-8-24-11-17(22-23-24)14-4-5-15-16(10-14)21-12-20-15/h3-6,9-12H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole has a molecular weight of 349.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 53379083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).