spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]

C12H16N2 — CID 708581

IUPACspiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]
SMILESc1ccc2c(c1)NC1(CCCCC1)N2
InChIInChI=1S/C12H16N2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7,13-14H,1,4-5,8-9H2
InChIKeyYWEQCYWQCBWFMN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds

About spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]

spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] (PubChem CID 708581) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]
PubChem CID708581
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namespiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]
SMILESc1ccc2c(c1)NC1(CCCCC1)N2
InChIInChI=1S/C12H16N2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7,13-14H,1,4-5,8-9H2
InChIKeyYWEQCYWQCBWFMN-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]?
The IUPAC name of spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] (CID 708581) is spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane].
What is the SMILES notation for spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]?
The canonical SMILES for spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] is c1ccc2c(c1)NC1(CCCCC1)N2.
What is the InChIKey of spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]?
The InChIKey is YWEQCYWQCBWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7,13-14H,1,4-5,8-9H2.
What are the key properties of spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]?
spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] has a molecular weight of 188.27 g/mol, XLogP of 3.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 708581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).