N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide

C20H17N5O — CID 41082957

IUPACN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide
SMILESC[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H17N5O/c1-14(15-6-8-16(9-7-15)25-11-10-21-13-25)23-20(26)19-12-22-17-4-2-3-5-18(17)24-19/h2-14H,1H3,(H,23,26)/t14-/m0/s1
InChIKeyDRXJGGXTUCCLDO-AWEZNQCLSA-N
MW343.39 g/mol
LogP3.31
Rot. Bonds4

About N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide (PubChem CID 41082957) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide
PubChem CID41082957
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide
SMILESC[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H17N5O/c1-14(15-6-8-16(9-7-15)25-11-10-21-13-25)23-20(26)19-12-22-17-4-2-3-5-18(17)24-19/h2-14H,1H3,(H,23,26)/t14-/m0/s1
InChIKeyDRXJGGXTUCCLDO-AWEZNQCLSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
CID 18291718
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 134032924
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41082611
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide (CID 41082957) is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide is C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide?
The InChIKey is DRXJGGXTUCCLDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14(15-6-8-16(9-7-15)25-11-10-21-13-25)23-20(26)19-12-22-17-4-2-3-5-18(17)24-19/h2-14H,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide?
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 41082957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).