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

C15H22N2 — CID 71018198

IUPAC2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCC1C=CC2N=C(C3=CCCCC3)N(C)C2C1
InChIInChI=1S/C15H22N2/c1-11-8-9-13-14(10-11)17(2)15(16-13)12-6-4-3-5-7-12/h6,8-9,11,13-14H,3-5,7,10H2,1-2H3
InChIKeyWIYLBSIQQXZHJK-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.16
Rot. Bonds1

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

2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole (PubChem CID 71018198) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole
PubChem CID71018198
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole
SMILESCC1C=CC2N=C(C3=CCCCC3)N(C)C2C1
InChIInChI=1S/C15H22N2/c1-11-8-9-13-14(10-11)17(2)15(16-13)12-6-4-3-5-7-12/h6,8-9,11,13-14H,3-5,7,10H2,1-2H3
InChIKeyWIYLBSIQQXZHJK-UHFFFAOYSA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole?
The IUPAC name of 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole (CID 71018198) is 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole.
What is the SMILES notation for 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole?
The canonical SMILES for 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole is CC1C=CC2N=C(C3=CCCCC3)N(C)C2C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole?
The InChIKey is WIYLBSIQQXZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-8-9-13-14(10-11)17(2)15(16-13)12-6-4-3-5-7-12/h6,8-9,11,13-14H,3-5,7,10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole?
2-(cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole has a molecular weight of 230.35 g/mol, XLogP of 3.16, 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)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole is sourced from PubChem (CID 71018198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).