2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole

C15H24N2 — CID 89192459

IUPAC2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESC=C(CCCCC)C1=NC2C=CCCC2N1C
InChIInChI=1S/C15H24N2/c1-4-5-6-9-12(2)15-16-13-10-7-8-11-14(13)17(15)3/h7,10,13-14H,2,4-6,8-9,11H2,1,3H3
InChIKeyJSBYMPCADIRQGU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.55
Rot. Bonds5

About 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole

2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole (PubChem CID 89192459) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
PubChem CID89192459
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESC=C(CCCCC)C1=NC2C=CCCC2N1C
InChIInChI=1S/C15H24N2/c1-4-5-6-9-12(2)15-16-13-10-7-8-11-14(13)17(15)3/h7,10,13-14H,2,4-6,8-9,11H2,1,3H3
InChIKeyJSBYMPCADIRQGU-UHFFFAOYSA-N
XLogP3.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole 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 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The IUPAC name of 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole (CID 89192459) is 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The canonical SMILES for 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole is C=C(CCCCC)C1=NC2C=CCCC2N1C.
What is the InChIKey of 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The InChIKey is JSBYMPCADIRQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-5-6-9-12(2)15-16-13-10-7-8-11-14(13)17(15)3/h7,10,13-14H,2,4-6,8-9,11H2,1,3H3.
What are the key properties of 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole has a molecular weight of 232.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-1-en-2-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 89192459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).