[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol

C15H20N4O — CID 169215286

IUPAC[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol
SMILESCc1cccc2[nH]c(CN3CC4(CN(CO)C4)C3)nc12
InChIInChI=1S/C15H20N4O/c1-11-3-2-4-12-14(11)17-13(16-12)5-18-6-15(7-18)8-19(9-15)10-20/h2-4,20H,5-10H2,1H3,(H,16,17)
InChIKeyHRQHBZIQPUBOCJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.94
Rot. Bonds3

About [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol

[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol (PubChem CID 169215286) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol.

Molecular Properties

Compound Name[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol
PubChem CID169215286
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol
SMILESCc1cccc2[nH]c(CN3CC4(CN(CO)C4)C3)nc12
InChIInChI=1S/C15H20N4O/c1-11-3-2-4-12-14(11)17-13(16-12)5-18-6-15(7-18)8-19(9-15)10-20/h2-4,20H,5-10H2,1H3,(H,16,17)
InChIKeyHRQHBZIQPUBOCJ-UHFFFAOYSA-N
XLogP0.94
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol?
The IUPAC name of [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol (CID 169215286) is [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol.
What is the SMILES notation for [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol?
The canonical SMILES for [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol is Cc1cccc2[nH]c(CN3CC4(CN(CO)C4)C3)nc12.
What is the InChIKey of [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol?
The InChIKey is HRQHBZIQPUBOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-3-2-4-12-14(11)17-13(16-12)5-18-6-15(7-18)8-19(9-15)10-20/h2-4,20H,5-10H2,1H3,(H,16,17).
What are the key properties of [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol?
[6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanol is sourced from PubChem (CID 169215286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).