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

C18H17N5O — CID 53378966

IUPAC6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
SMILESCOc1cccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)c1
InChIInChI=1S/C18H17N5O/c1-24-15-4-2-3-13(9-15)7-8-23-11-18(21-22-23)14-5-6-16-17(10-14)20-12-19-16/h2-6,9-12H,7-8H2,1H3,(H,19,20)
InChIKeyMLNDVJZTLSHMBU-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.07
Rot. Bonds5

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

6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole (PubChem CID 53378966) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
PubChem CID53378966
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
SMILESCOc1cccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)c1
InChIInChI=1S/C18H17N5O/c1-24-15-4-2-3-13(9-15)7-8-23-11-18(21-22-23)14-5-6-16-17(10-14)20-12-19-16/h2-6,9-12H,7-8H2,1H3,(H,19,20)
InChIKeyMLNDVJZTLSHMBU-UHFFFAOYSA-N
XLogP3.07
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
4-[2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]ethyl]phenol
CID 142449912
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole
CID 144655270
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
N-(3H-benzimidazol-5-ylmethyl)-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465588
[1-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]methanol
CID 114204808
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole
CID 58433289
1-[2-(3-methoxyphenyl)ethyl]pyrrole
CID 10679575
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole (CID 53378966) is 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole is COc1cccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)c1.
What is the InChIKey of 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
The InChIKey is MLNDVJZTLSHMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-24-15-4-2-3-13(9-15)7-8-23-11-18(21-22-23)14-5-6-16-17(10-14)20-12-19-16/h2-6,9-12H,7-8H2,1H3,(H,19,20).
What are the key properties of 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole?
6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole has a molecular weight of 319.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 53378966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).