N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide

C23H24N4O2 — CID 75357001

IUPACN-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)Cn1c(CCNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C23H24N4O2/c1-15(2)14-27-20-10-6-5-9-19(20)25-21(27)11-12-24-23(29)17-13-22(28)26-18-8-4-3-7-16(17)18/h3-10,13,15H,11-12,14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyGNGBLOHXCKOZSG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.51
Rot. Bonds6

About N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 75357001) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID75357001
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)Cn1c(CCNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C23H24N4O2/c1-15(2)14-27-20-10-6-5-9-19(20)25-21(27)11-12-24-23(29)17-13-22(28)26-18-8-4-3-7-16(17)18/h3-10,13,15H,11-12,14H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyGNGBLOHXCKOZSG-UHFFFAOYSA-N
XLogP3.51
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-fluoro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989918
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56803252
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72928708
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
2-methyl-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17006775
2-chloro-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007409
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 75490204
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 75357001) is N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide is CC(C)Cn1c(CCNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is GNGBLOHXCKOZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)14-27-20-10-6-5-9-19(20)25-21(27)11-12-24-23(29)17-13-22(28)26-18-8-4-3-7-16(17)18/h3-10,13,15H,11-12,14H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 75357001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).