3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one

C18H24N4O2 — CID 138035808

IUPAC3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one
SMILESCN1CCC2(CCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C2)C1
InChIInChI=1S/C18H24N4O2/c1-20-9-7-18(11-20)6-3-8-22(12-18)16(23)13-4-5-14-15(10-13)21(2)17(24)19-14/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,19,24)
InChIKeyBPWHDOUCFDDLDR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.42
Rot. Bonds1

About 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one

3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one (PubChem CID 138035808) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one
PubChem CID138035808
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one
SMILESCN1CCC2(CCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C2)C1
InChIInChI=1S/C18H24N4O2/c1-20-9-7-18(11-20)6-3-8-22(12-18)16(23)13-4-5-14-15(10-13)21(2)17(24)19-14/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,19,24)
InChIKeyBPWHDOUCFDDLDR-UHFFFAOYSA-N
XLogP1.42
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one (CID 138035808) is 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one is CN1CCC2(CCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)C2)C1.
What is the InChIKey of 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is BPWHDOUCFDDLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-9-7-18(11-20)6-3-8-22(12-18)16(23)13-4-5-14-15(10-13)21(2)17(24)19-14/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,19,24).
What are the key properties of 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one?
3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 138035808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).