2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C14H18N6 — CID 79750862

IUPAC2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCn1c(CC(NC)c2ncn[nH]2)nc2ccccc21
InChIInChI=1S/C14H18N6/c1-3-20-12-7-5-4-6-10(12)18-13(20)8-11(15-2)14-16-9-17-19-14/h4-7,9,11,15H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyTYLFCKHBVMBCBH-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.68
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 79750862) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID79750862
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCn1c(CC(NC)c2ncn[nH]2)nc2ccccc21
InChIInChI=1S/C14H18N6/c1-3-20-12-7-5-4-6-10(12)18-13(20)8-11(15-2)14-16-9-17-19-14/h4-7,9,11,15H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyTYLFCKHBVMBCBH-UHFFFAOYSA-N
XLogP1.68
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230658
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105164975
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105007716
4-[2-(1-ethylbenzimidazol-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231084
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105164929
[2-(1-ethylbenzimidazol-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193559
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 79750862) is 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CCn1c(CC(NC)c2ncn[nH]2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is TYLFCKHBVMBCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-3-20-12-7-5-4-6-10(12)18-13(20)8-11(15-2)14-16-9-17-19-14/h4-7,9,11,15H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 270.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 79750862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).