6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine

C13H17N3 — CID 166434602

IUPAC6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine
SMILESC/C=C(\CC)c1cc2nc(N)[nH]c2cc1C
InChIInChI=1S/C13H17N3/c1-4-9(5-2)10-7-12-11(6-8(10)3)15-13(14)16-12/h4,6-7H,5H2,1-3H3,(H3,14,15,16)/b9-4+
InChIKeyWLEVZHQXTAENMS-RUDMXATFSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds2

About 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine

6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine (PubChem CID 166434602) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine
PubChem CID166434602
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine
SMILESC/C=C(\CC)c1cc2nc(N)[nH]c2cc1C
InChIInChI=1S/C13H17N3/c1-4-9(5-2)10-7-12-11(6-8(10)3)15-13(14)16-12/h4,6-7H,5H2,1-3H3,(H3,14,15,16)/b9-4+
InChIKeyWLEVZHQXTAENMS-RUDMXATFSA-N
XLogP3.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine (CID 166434602) is 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine is C/C=C(\CC)c1cc2nc(N)[nH]c2cc1C.
What is the InChIKey of 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine?
The InChIKey is WLEVZHQXTAENMS-RUDMXATFSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-9(5-2)10-7-12-11(6-8(10)3)15-13(14)16-12/h4,6-7H,5H2,1-3H3,(H3,14,15,16)/b9-4+.
What are the key properties of 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine?
6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 166434602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).