2-cyclohexyl-1-methylbenzimidazole

C14H18N2 — CID 2991075

IUPAC2-cyclohexyl-1-methylbenzimidazole
SMILESCn1c(C2CCCCC2)nc2ccccc21
InChIInChI=1S/C14H18N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCPSWFAFTCAVDJH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.62
Rot. Bonds1

About 2-cyclohexyl-1-methylbenzimidazole

2-cyclohexyl-1-methylbenzimidazole (PubChem CID 2991075) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-methylbenzimidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-methylbenzimidazole
PubChem CID2991075
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-cyclohexyl-1-methylbenzimidazole
SMILESCn1c(C2CCCCC2)nc2ccccc21
InChIInChI=1S/C14H18N2/c1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCPSWFAFTCAVDJH-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-methylbenzimidazole?
The IUPAC name of 2-cyclohexyl-1-methylbenzimidazole (CID 2991075) is 2-cyclohexyl-1-methylbenzimidazole.
What is the SMILES notation for 2-cyclohexyl-1-methylbenzimidazole?
The canonical SMILES for 2-cyclohexyl-1-methylbenzimidazole is Cn1c(C2CCCCC2)nc2ccccc21.
What is the InChIKey of 2-cyclohexyl-1-methylbenzimidazole?
The InChIKey is CPSWFAFTCAVDJH-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/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 2-cyclohexyl-1-methylbenzimidazole?
2-cyclohexyl-1-methylbenzimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methylbenzimidazole is sourced from PubChem (CID 2991075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).