N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine

C13H16N6 — CID 133410346

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCCn1cnnc1CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H16N6/c1-2-19-9-15-18-12(19)7-8-14-13-16-10-5-3-4-6-11(10)17-13/h3-6,9H,2,7-8H2,1H3,(H2,14,16,17)
InChIKeyOYZVPYTYQSIRGF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 133410346) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID133410346
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCCn1cnnc1CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H16N6/c1-2-19-9-15-18-12(19)7-8-14-13-16-10-5-3-4-6-11(10)17-13/h3-6,9H,2,7-8H2,1H3,(H2,14,16,17)
InChIKeyOYZVPYTYQSIRGF-UHFFFAOYSA-N
XLogP1.83
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 103868134
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[4-(1,2,4-triazol-4-yl)butyl]-1H-benzimidazol-2-amine
CID 133410530
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine
CID 75435471
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 115143891

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine (CID 133410346) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine is CCn1cnnc1CCNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is OYZVPYTYQSIRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-2-19-9-15-18-12(19)7-8-14-13-16-10-5-3-4-6-11(10)17-13/h3-6,9H,2,7-8H2,1H3,(H2,14,16,17).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).