1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine

C15H20N6 — CID 80690550

IUPAC1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCc1ncn(C)n1
InChIInChI=1S/C15H20N6/c1-3-4-15-18-12-9-11(16)5-6-13(12)21(15)8-7-14-17-10-20(2)19-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyHSBYVXZTARXBTP-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine

1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine (PubChem CID 80690550) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine
PubChem CID80690550
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCc1ncn(C)n1
InChIInChI=1S/C15H20N6/c1-3-4-15-18-12-9-11(16)5-6-13(12)21(15)8-7-14-17-10-20(2)19-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyHSBYVXZTARXBTP-UHFFFAOYSA-N
XLogP1.94
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
5-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80688565
2-(chloromethyl)-5-iodo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 80686278
1-(3-imidazol-1-ylpropyl)-2-propylbenzimidazol-5-amine
CID 62508178
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
1-(2-methyl-3-methylsulfanylpropyl)-2-propylbenzimidazol-5-amine
CID 63959143
1-[(4,5-dimethylthiophen-2-yl)methyl]-2-propylbenzimidazol-5-amine
CID 65245608
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine (CID 80690550) is 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CCc1ncn(C)n1.
What is the InChIKey of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine?
The InChIKey is HSBYVXZTARXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-3-4-15-18-12-9-11(16)5-6-13(12)21(15)8-7-14-17-10-20(2)19-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine?
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine has a molecular weight of 284.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 80690550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).