2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C18H24N4O — CID 175643289

IUPAC2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)n1c(CN2CCC3(CCNC3)C2=O)nc2ccccc21
InChIInChI=1S/C18H24N4O/c1-13(2)22-15-6-4-3-5-14(15)20-16(22)11-21-10-8-18(17(21)23)7-9-19-12-18/h3-6,13,19H,7-12H2,1-2H3
InChIKeySTJULYKTABPESE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.33
Rot. Bonds3

About 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643289) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175643289
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C)n1c(CN2CCC3(CCNC3)C2=O)nc2ccccc21
InChIInChI=1S/C18H24N4O/c1-13(2)22-15-6-4-3-5-14(15)20-16(22)11-21-10-8-18(17(21)23)7-9-19-12-18/h3-6,13,19H,7-12H2,1-2H3
InChIKeySTJULYKTABPESE-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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6-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175643289) is 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is CC(C)n1c(CN2CCC3(CCNC3)C2=O)nc2ccccc21.
What is the InChIKey of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is STJULYKTABPESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)22-15-6-4-3-5-14(15)20-16(22)11-21-10-8-18(17(21)23)7-9-19-12-18/h3-6,13,19H,7-12H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).