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

C13H16N2 — CID 14064347

IUPAC3'-methylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCC1CCCC2(C1)N=c1ccccc1=N2
InChIInChI=1S/C13H16N2/c1-10-5-4-8-13(9-10)14-11-6-2-3-7-12(11)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyGNVBWBXXNAUEBD-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.85
Rot. Bonds

About 3'-methylspiro[benzimidazole-2,1'-cyclohexane]

3'-methylspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 14064347) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3'-methylspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name3'-methylspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID14064347
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3'-methylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCC1CCCC2(C1)N=c1ccccc1=N2
InChIInChI=1S/C13H16N2/c1-10-5-4-8-13(9-10)14-11-6-2-3-7-12(11)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyGNVBWBXXNAUEBD-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 3'-methylspiro[benzimidazole-2,1'-cyclohexane] (CID 14064347) is 3'-methylspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 3'-methylspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 3'-methylspiro[benzimidazole-2,1'-cyclohexane] is CC1CCCC2(C1)N=c1ccccc1=N2.
What is the InChIKey of 3'-methylspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is GNVBWBXXNAUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-5-4-8-13(9-10)14-11-6-2-3-7-12(11)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 3'-methylspiro[benzimidazole-2,1'-cyclohexane]?
3'-methylspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 200.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 14064347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).