5-methylspiro[benzimidazole-2,1'-cyclohexane]

C13H16N2 — CID 20537702

IUPAC5-methylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCc1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C13H16N2/c1-10-5-6-11-12(9-10)15-13(14-11)7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLYKOSWCTXIGYQZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.91
Rot. Bonds

About 5-methylspiro[benzimidazole-2,1'-cyclohexane]

5-methylspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 20537702) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 5-methylspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5-methylspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID20537702
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name5-methylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCc1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C13H16N2/c1-10-5-6-11-12(9-10)15-13(14-11)7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLYKOSWCTXIGYQZ-UHFFFAOYSA-N
XLogP1.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methylspiro[benzimidazole-2,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5-methylspiro[benzimidazole-2,1'-cyclohexane] (CID 20537702) is 5-methylspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5-methylspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5-methylspiro[benzimidazole-2,1'-cyclohexane] is Cc1ccc2c(c1)=NC1(CCCCC1)N=2.
What is the InChIKey of 5-methylspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is LYKOSWCTXIGYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-5-6-11-12(9-10)15-13(14-11)7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 5-methylspiro[benzimidazole-2,1'-cyclohexane]?
5-methylspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 200.29 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 20537702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).