2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide

C23H24ClFN6O2 — CID 67975549

IUPAC2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc21)NC1CC1
InChIInChI=1S/C23H24ClFN6O2/c24-15-3-6-18-17(11-15)28-21(29(18)10-2-1-8-25)13-30-20-12-26-9-7-19(20)31(23(30)33)14-22(32)27-16-4-5-16/h3,6-7,9,11-12,16H,1-2,4-5,8,10,13-14H2,(H,27,32)
InChIKeyXETXJOYIXZNRRN-UHFFFAOYSA-N
MW470.94 g/mol
LogP3.28
Rot. Bonds9

About 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide

2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide (PubChem CID 67975549) has the molecular formula C23H24ClFN6O2 and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
PubChem CID67975549
Molecular FormulaC23H24ClFN6O2
Molecular Weight470.94 g/mol
Exact Mass470.16
IUPAC Name2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc21)NC1CC1
InChIInChI=1S/C23H24ClFN6O2/c24-15-3-6-18-17(11-15)28-21(29(18)10-2-1-8-25)13-30-20-12-26-9-7-19(20)31(23(30)33)14-22(32)27-16-4-5-16/h3,6-7,9,11-12,16H,1-2,4-5,8,10,13-14H2,(H,27,32)
InChIKeyXETXJOYIXZNRRN-UHFFFAOYSA-N
XLogP3.28
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.28
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 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide (CID 67975549) is 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide is O=C(Cn1c(=O)n(Cc2nc3cc(Cl)ccc3n2CCCCF)c2cnccc21)NC1CC1.
What is the InChIKey of 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
The InChIKey is XETXJOYIXZNRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O2/c24-15-3-6-18-17(11-15)28-21(29(18)10-2-1-8-25)13-30-20-12-26-9-7-19(20)31(23(30)33)14-22(32)27-16-4-5-16/h3,6-7,9,11-12,16H,1-2,4-5,8,10,13-14H2,(H,27,32).
What are the key properties of 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide?
2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide has a molecular weight of 470.94 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 67975549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).