1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole

C14H20N2 — CID 122608717

IUPAC1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC2C(C=C1)N=CN2C1CCCCC1
InChIInChI=1S/C14H20N2/c1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12/h7-10,12-14H,2-6H2,1H3
InChIKeyHSRMMIXLOCHMIL-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.92
Rot. Bonds1

About 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole

1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole (PubChem CID 122608717) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole
PubChem CID122608717
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC2C(C=C1)N=CN2C1CCCCC1
InChIInChI=1S/C14H20N2/c1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12/h7-10,12-14H,2-6H2,1H3
InChIKeyHSRMMIXLOCHMIL-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

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Related Compounds

1-Ethyl-3a,7a-dihydrobenzimidazole
CID 18345221
1-Propan-2-yl-3a,7a-dihydrobenzimidazole
CID 58095321
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-amine
CID 67988743
1-Butyl-3-methyl-3a,7a-dihydrobenzimidazol-3-ium
CID 68200892
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-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018190
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
1-(3,3-Dimethylbutyl)-4-methyl-3a,7a-dihydrobenzimidazole
CID 71289167
1-Tert-butyl-3a,7a-dihydrobenzimidazole
CID 90246666

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole (CID 122608717) is 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole is CC1=CC2C(C=C1)N=CN2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole?
The InChIKey is HSRMMIXLOCHMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12/h7-10,12-14H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole?
1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole 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 1-cyclohexyl-6-methyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 122608717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).