1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

C13H16N6 — CID 105159359

IUPAC1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(N)Cn1cnc2ccccc21
InChIInChI=1S/C13H16N6/c1-18-13(15-8-17-18)6-10(14)7-19-9-16-11-4-2-3-5-12(11)19/h2-5,8-10H,6-7,14H2,1H3
InChIKeyDXXIBTMZYMNGFI-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.73
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 105159359) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID105159359
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(N)Cn1cnc2ccccc21
InChIInChI=1S/C13H16N6/c1-18-13(15-8-17-18)6-10(14)7-19-9-16-11-4-2-3-5-12(11)19/h2-5,8-10H,6-7,14H2,1H3
InChIKeyDXXIBTMZYMNGFI-UHFFFAOYSA-N
XLogP0.73
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 105159359) is 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1ncnc1CC(N)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is DXXIBTMZYMNGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-18-13(15-8-17-18)6-10(14)7-19-9-16-11-4-2-3-5-12(11)19/h2-5,8-10H,6-7,14H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 256.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 105159359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).