4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile

C22H22N6O — CID 18334710

IUPAC4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C22H22N6O/c23-11-3-4-13-26-18-9-2-1-8-17(18)25-21(26)15-27-20-14-24-12-10-19(20)28(22(27)29)16-6-5-7-16/h1-2,8-10,12,14,16H,3-7,13,15H2
InChIKeyVWEPARILXXFAMM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.62
Rot. Bonds6

About 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile

4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile (PubChem CID 18334710) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
PubChem CID18334710
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C22H22N6O/c23-11-3-4-13-26-18-9-2-1-8-17(18)25-21(26)15-27-20-14-24-12-10-19(20)28(22(27)29)16-6-5-7-16/h1-2,8-10,12,14,16H,3-7,13,15H2
InChIKeyVWEPARILXXFAMM-UHFFFAOYSA-N
XLogP3.62
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
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 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile?
The IUPAC name of 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile (CID 18334710) is 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile.
What is the SMILES notation for 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile?
The canonical SMILES for 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile is N#CCCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21.
What is the InChIKey of 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile?
The InChIKey is VWEPARILXXFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-11-3-4-13-26-18-9-2-1-8-17(18)25-21(26)15-27-20-14-24-12-10-19(20)28(22(27)29)16-6-5-7-16/h1-2,8-10,12,14,16H,3-7,13,15H2.
What are the key properties of 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile?
4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile has a molecular weight of 386.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile is sourced from PubChem (CID 18334710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).