2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile

C24H26N6O2 — CID 22349293

IUPAC2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c3ccncc31)n2CCCCCCO
InChIInChI=1S/C24H26N6O2/c25-14-17-5-8-20-19(13-17)27-23(28(20)11-3-1-2-4-12-31)16-29-22-15-26-10-9-21(22)30(24(29)32)18-6-7-18/h5,8-10,13,15,18,31H,1-4,6-7,11-12,16H2
InChIKeyLXHLPXANXSTIAB-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.36
Rot. Bonds9

About 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile

2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile (PubChem CID 22349293) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
PubChem CID22349293
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c3ccncc31)n2CCCCCCO
InChIInChI=1S/C24H26N6O2/c25-14-17-5-8-20-19(13-17)27-23(28(20)11-3-1-2-4-12-31)16-29-22-15-26-10-9-21(22)30(24(29)32)18-6-7-18/h5,8-10,13,15,18,31H,1-4,6-7,11-12,16H2
InChIKeyLXHLPXANXSTIAB-UHFFFAOYSA-N
XLogP3.36
TPSA101.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile (CID 22349293) is 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c3ccncc31)n2CCCCCCO.
What is the InChIKey of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile?
The InChIKey is LXHLPXANXSTIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c25-14-17-5-8-20-19(13-17)27-23(28(20)11-3-1-2-4-12-31)16-29-22-15-26-10-9-21(22)30(24(29)32)18-6-7-18/h5,8-10,13,15,18,31H,1-4,6-7,11-12,16H2.
What are the key properties of 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile?
2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile has a molecular weight of 430.51 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 22349293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).