2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole

C14H20N2 — CID 71018190

IUPAC2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCN1C(C2=CCCCC2)=NC2C=CCCC21
InChIInChI=1S/C14H20N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5,7,9,12-13H,2-4,6,8,10H2,1H3
InChIKeyNPBZCBTUGMOXMJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.92
Rot. Bonds1

About 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole

2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole (PubChem CID 71018190) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
PubChem CID71018190
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCN1C(C2=CCCCC2)=NC2C=CCCC21
InChIInChI=1S/C14H20N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5,7,9,12-13H,2-4,6,8,10H2,1H3
InChIKeyNPBZCBTUGMOXMJ-UHFFFAOYSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-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

Related Compounds

5-Methyl-8-propyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10487568
5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
2-(Cyclohexen-1-yl)-7-ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 68215792
1-Cyclohexa-2,4-dien-1-yl-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 70856815
2-(Cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
CID 70856844
2-(Cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018198
3-[(Z)-hex-2-enyl]-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018206
(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole
CID 71018223
3-(Cyclohexen-1-yl)-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018226
3-Methyl-2-(1-methylcyclohexyl)-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018229
2-Cyclohexa-1,3-dien-1-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018230
2-(Cyclohexen-1-yl)-1,5-dimethyl-3a,7a-dihydrobenzimidazole
CID 71018247

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The IUPAC name of 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole (CID 71018190) is 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The canonical SMILES for 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole is CN1C(C2=CCCCC2)=NC2C=CCCC21.
What is the InChIKey of 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
The InChIKey is NPBZCBTUGMOXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5,7,9,12-13H,2-4,6,8,10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole?
2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole has a molecular weight of 216.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 71018190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).