5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]

C15H20N2O — CID 20537714

IUPAC5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]
SMILESCC(C)Oc1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C15H20N2O/c1-11(2)18-12-6-7-13-14(10-12)17-15(16-13)8-4-3-5-9-15/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyIDASVTULMGVQIE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.39
Rot. Bonds2

About 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]

5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 20537714) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID20537714
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]
SMILESCC(C)Oc1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C15H20N2O/c1-11(2)18-12-6-7-13-14(10-12)17-15(16-13)8-4-3-5-9-15/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyIDASVTULMGVQIE-UHFFFAOYSA-N
XLogP2.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]
CID 20537712
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
2-[1-(aminomethyl)cyclohexyl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 116614346
5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
CID 20685087
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-(4-propan-2-yloxy-2-pyridinyl)cyclopropan-1-amine
CID 84772434
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
CID 81399768
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
2,3-dichloro-6-propan-2-yloxyquinoxaline
CID 142745885
1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242531
2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
CID 141308717

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane] (CID 20537714) is 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane] is CC(C)Oc1ccc2c(c1)=NC1(CCCCC1)N=2.
What is the InChIKey of 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is IDASVTULMGVQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)18-12-6-7-13-14(10-12)17-15(16-13)8-4-3-5-9-15/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane]?
5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 244.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxyspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 20537714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).