1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C23H27N5O2 — CID 18334788

IUPAC1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCCC1
InChIInChI=1S/C23H27N5O2/c29-14-6-5-13-26-19-10-4-3-9-18(19)25-22(26)16-27-21-15-24-12-11-20(21)28(23(27)30)17-7-1-2-8-17/h3-4,9-12,15,17,29H,1-2,5-8,13-14,16H2
InChIKeyZUVAIGTVAGNNNK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.48
Rot. Bonds7

About 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334788) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334788
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCCC1
InChIInChI=1S/C23H27N5O2/c29-14-6-5-13-26-19-10-4-3-9-18(19)25-22(26)16-27-21-15-24-12-11-20(21)28(23(27)30)17-7-1-2-8-17/h3-4,9-12,15,17,29H,1-2,5-8,13-14,16H2
InChIKeyZUVAIGTVAGNNNK-UHFFFAOYSA-N
XLogP3.48
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334788) is 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZUVAIGTVAGNNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-14-6-5-13-26-19-10-4-3-9-18(19)25-22(26)16-27-21-15-24-12-11-20(21)28(23(27)30)17-7-1-2-8-17/h3-4,9-12,15,17,29H,1-2,5-8,13-14,16H2.
What are the key properties of 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 405.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).