1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]

C13H22N2O — CID 11850184

IUPAC1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]
SMILESCC12CCCCC1=NC1(CCCCC1)N2O
InChIInChI=1S/C13H22N2O/c1-12-8-6-3-7-11(12)14-13(15(12)16)9-4-2-5-10-13/h16H,2-10H2,1H3
InChIKeyFQVHGZWXTSUMOV-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds

About 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]

1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane] (PubChem CID 11850184) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]
PubChem CID11850184
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]
SMILESCC12CCCCC1=NC1(CCCCC1)N2O
InChIInChI=1S/C13H22N2O/c1-12-8-6-3-7-11(12)14-13(15(12)16)9-4-2-5-10-13/h16H,2-10H2,1H3
InChIKeyFQVHGZWXTSUMOV-UHFFFAOYSA-N
XLogP3.13
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]?
The IUPAC name of 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane] (CID 11850184) is 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane] is CC12CCCCC1=NC1(CCCCC1)N2O.
What is the InChIKey of 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]?
The InChIKey is FQVHGZWXTSUMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12-8-6-3-7-11(12)14-13(15(12)16)9-4-2-5-10-13/h16H,2-10H2,1H3.
What are the key properties of 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane]?
1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane] has a molecular weight of 222.33 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7a-methylspiro[4,5,6,7-tetrahydrobenzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 11850184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).