1-(2-methylpentan-3-yl)benzimidazol-5-amine

C13H19N3 — CID 62506261

IUPAC1-(2-methylpentan-3-yl)benzimidazol-5-amine
SMILESCCC(C(C)C)n1cnc2cc(N)ccc21
InChIInChI=1S/C13H19N3/c1-4-12(9(2)3)16-8-15-11-7-10(14)5-6-13(11)16/h5-9,12H,4,14H2,1-3H3
InChIKeyLDMGEBVMMCXVLW-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-methylpentan-3-yl)benzimidazol-5-amine

1-(2-methylpentan-3-yl)benzimidazol-5-amine (PubChem CID 62506261) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(2-methylpentan-3-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-methylpentan-3-yl)benzimidazol-5-amine
PubChem CID62506261
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(2-methylpentan-3-yl)benzimidazol-5-amine
SMILESCCC(C(C)C)n1cnc2cc(N)ccc21
InChIInChI=1S/C13H19N3/c1-4-12(9(2)3)16-8-15-11-7-10(14)5-6-13(11)16/h5-9,12H,4,14H2,1-3H3
InChIKeyLDMGEBVMMCXVLW-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-yl)benzimidazol-5-amine?
The IUPAC name of 1-(2-methylpentan-3-yl)benzimidazol-5-amine (CID 62506261) is 1-(2-methylpentan-3-yl)benzimidazol-5-amine.
What is the SMILES notation for 1-(2-methylpentan-3-yl)benzimidazol-5-amine?
The canonical SMILES for 1-(2-methylpentan-3-yl)benzimidazol-5-amine is CCC(C(C)C)n1cnc2cc(N)ccc21.
What is the InChIKey of 1-(2-methylpentan-3-yl)benzimidazol-5-amine?
The InChIKey is LDMGEBVMMCXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-12(9(2)3)16-8-15-11-7-10(14)5-6-13(11)16/h5-9,12H,4,14H2,1-3H3.
What are the key properties of 1-(2-methylpentan-3-yl)benzimidazol-5-amine?
1-(2-methylpentan-3-yl)benzimidazol-5-amine has a molecular weight of 217.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 62506261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).