3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole

C14H20N2 — CID 70856813

IUPAC3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole
SMILESCC1NC2=C(C=CCC2)N1C1=CCCCC1
InChIInChI=1S/C14H20N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyDPEDMXWCBHWFMT-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.26
Rot. Bonds1

About 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole

3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole (PubChem CID 70856813) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole
PubChem CID70856813
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole
SMILESCC1NC2=C(C=CCC2)N1C1=CCCCC1
InChIInChI=1S/C14H20N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyDPEDMXWCBHWFMT-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole?
The IUPAC name of 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole (CID 70856813) is 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole is CC1NC2=C(C=CCC2)N1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole?
The InChIKey is DPEDMXWCBHWFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12/h6-7,10-11,15H,2-5,8-9H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole?
3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 70856813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).