N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide

C19H17N5O2 — CID 146041516

IUPACN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCN(CCn1cnc2ccccc21)C(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C19H17N5O2/c1-23(10-11-24-12-20-15-8-4-5-9-16(15)24)19(26)17-18(25)22-14-7-3-2-6-13(14)21-17/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyKVWYCIUYUFCNOJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide

N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 146041516) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID146041516
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCN(CCn1cnc2ccccc21)C(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C19H17N5O2/c1-23(10-11-24-12-20-15-8-4-5-9-16(15)24)19(26)17-18(25)22-14-7-3-2-6-13(14)21-17/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyKVWYCIUYUFCNOJ-UHFFFAOYSA-N
XLogP2.05
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 146045481
N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 166379452
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714839
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 157012168
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-[2-(benzimidazol-1-yl)ethyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171712694
3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 171325152
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 146045162
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 146041516) is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide is CN(CCn1cnc2ccccc21)C(=O)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is KVWYCIUYUFCNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-23(10-11-24-12-20-15-8-4-5-9-16(15)24)19(26)17-18(25)22-14-7-3-2-6-13(14)21-17/h2-9,12H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 146041516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).