9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C24H29N5O — CID 70765030

IUPAC9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1c(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O/c1-27-21-5-3-2-4-20(21)26-22(27)17-28-14-10-24(11-15-28)9-6-23(30)29(18-24)16-19-7-12-25-13-8-19/h2-5,7-8,12-13H,6,9-11,14-18H2,1H3
InChIKeyJHDNUDMYWXCBPU-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.37
Rot. Bonds4

About 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70765030) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70765030
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1c(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)nc2ccccc21
InChIInChI=1S/C24H29N5O/c1-27-21-5-3-2-4-20(21)26-22(27)17-28-14-10-24(11-15-28)9-6-23(30)29(18-24)16-19-7-12-25-13-8-19/h2-5,7-8,12-13H,6,9-11,14-18H2,1H3
InChIKeyJHDNUDMYWXCBPU-UHFFFAOYSA-N
XLogP3.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70745249
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70729722
2-[(1-methylbenzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717836
(6R)-1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789048
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
2-benzyl-9-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70713337
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
9-(2-morpholin-4-ylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896232
(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
9-[(2-methylpyrazol-3-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98895621
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493

Frequently Asked Questions

What is the IUPAC name of 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70765030) is 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cn1c(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)nc2ccccc21.
What is the InChIKey of 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JHDNUDMYWXCBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-27-21-5-3-2-4-20(21)26-22(27)17-28-14-10-24(11-15-28)9-6-23(30)29(18-24)16-19-7-12-25-13-8-19/h2-5,7-8,12-13H,6,9-11,14-18H2,1H3.
What are the key properties of 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 403.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methylbenzimidazol-2-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70765030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).