2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole

C14H18N2 — CID 70856844

IUPAC2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
SMILESCN1C(C2=CCCCC2)=NC2C=CC=CC21
InChIInChI=1S/C14H18N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-7,9-10,12-13H,2-4,8H2,1H3
InChIKeyZPEBKWAVPWEGBD-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.69
Rot. Bonds1

About 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole

2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole (PubChem CID 70856844) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
PubChem CID70856844
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
SMILESCN1C(C2=CCCCC2)=NC2C=CC=CC21
InChIInChI=1S/C14H18N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-7,9-10,12-13H,2-4,8H2,1H3
InChIKeyZPEBKWAVPWEGBD-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole (CID 70856844) is 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole is CN1C(C2=CCCCC2)=NC2C=CC=CC21.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole?
The InChIKey is ZPEBKWAVPWEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-7,9-10,12-13H,2-4,8H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole?
2-(cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole has a molecular weight of 214.31 g/mol, XLogP of 2.69, 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)-1-methyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 70856844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).