6-(1-ethyltriazol-4-yl)-1H-benzimidazole

C11H11N5 — CID 118693287

IUPAC6-(1-ethyltriazol-4-yl)-1H-benzimidazole
SMILESCCn1cc(-c2ccc3nc[nH]c3c2)nn1
InChIInChI=1S/C11H11N5/c1-2-16-6-11(14-15-16)8-3-4-9-10(5-8)13-7-12-9/h3-7H,2H2,1H3,(H,12,13)
InChIKeyXUZBAGOJPGXYOK-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.84
Rot. Bonds2

About 6-(1-ethyltriazol-4-yl)-1H-benzimidazole

6-(1-ethyltriazol-4-yl)-1H-benzimidazole (PubChem CID 118693287) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(1-ethyltriazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-ethyltriazol-4-yl)-1H-benzimidazole
PubChem CID118693287
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name6-(1-ethyltriazol-4-yl)-1H-benzimidazole
SMILESCCn1cc(-c2ccc3nc[nH]c3c2)nn1
InChIInChI=1S/C11H11N5/c1-2-16-6-11(14-15-16)8-3-4-9-10(5-8)13-7-12-9/h3-7H,2H2,1H3,(H,12,13)
InChIKeyXUZBAGOJPGXYOK-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[2-(3-methoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
CID 53378966
2-[4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]-N,N-diethylacetamide
CID 56905612
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
CID 143620068
[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822398
6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
2-[[5-(3H-benzimidazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethane-1,1-diol
CID 146414389
N'-[6-(3H-benzimidazol-5-yl)pyridazin-3-yl]-N'-methylethane-1,2-diamine
CID 116973259
4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894712
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyltriazol-4-yl)-1H-benzimidazole?
The IUPAC name of 6-(1-ethyltriazol-4-yl)-1H-benzimidazole (CID 118693287) is 6-(1-ethyltriazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(1-ethyltriazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-(1-ethyltriazol-4-yl)-1H-benzimidazole is CCn1cc(-c2ccc3nc[nH]c3c2)nn1.
What is the InChIKey of 6-(1-ethyltriazol-4-yl)-1H-benzimidazole?
The InChIKey is XUZBAGOJPGXYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-2-16-6-11(14-15-16)8-3-4-9-10(5-8)13-7-12-9/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of 6-(1-ethyltriazol-4-yl)-1H-benzimidazole?
6-(1-ethyltriazol-4-yl)-1H-benzimidazole has a molecular weight of 213.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyltriazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 118693287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).