8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C24H30N6O — CID 155198509

IUPAC8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNc1nc2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cc2[nH]1
InChIInChI=1S/C24H30N6O/c1-25-21-26-19-10-9-18(15-20(19)27-21)30-16-23(28-22(30)31)11-13-24(14-12-23,29(2)3)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,28,31)(H2,25,26,27)
InChIKeyKVTXQNLCKSXBLU-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.90
Rot. Bonds4

About 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155198509) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155198509
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNc1nc2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cc2[nH]1
InChIInChI=1S/C24H30N6O/c1-25-21-26-19-10-9-18(15-20(19)27-21)30-16-23(28-22(30)31)11-13-24(14-12-23,29(2)3)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,28,31)(H2,25,26,27)
InChIKeyKVTXQNLCKSXBLU-UHFFFAOYSA-N
XLogP3.90
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 155198509) is 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNc1nc2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cc2[nH]1.
What is the InChIKey of 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KVTXQNLCKSXBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-25-21-26-19-10-9-18(15-20(19)27-21)30-16-23(28-22(30)31)11-13-24(14-12-23,29(2)3)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,28,31)(H2,25,26,27).
What are the key properties of 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 418.55 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(methylamino)-3H-benzimidazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155198509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).