N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

C23H26N4O3 — CID 95097028

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc2n3CCN(C(C)C)C2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-14(2)26-11-12-27-20-10-7-17(13-19(20)25-21(27)23(26)29)22(28)24-15(3)16-5-8-18(30-4)9-6-16/h5-10,13-15H,11-12H2,1-4H3,(H,24,28)/t15-/m0/s1
InChIKeyWXCRKSCMBLTNBS-HNNXBMFYSA-N
MW406.49 g/mol
LogP3.40
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 95097028) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID95097028
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc2n3CCN(C(C)C)C2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-14(2)26-11-12-27-20-10-7-17(13-19(20)25-21(27)23(26)29)22(28)24-15(3)16-5-8-18(30-4)9-6-16/h5-10,13-15H,11-12H2,1-4H3,(H,24,28)/t15-/m0/s1
InChIKeyWXCRKSCMBLTNBS-HNNXBMFYSA-N
XLogP3.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
N-[1-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 53285830
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 95097028) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc2n3CCN(C(C)C)C2=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is WXCRKSCMBLTNBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)26-11-12-27-20-10-7-17(13-19(20)25-21(27)23(26)29)22(28)24-15(3)16-5-8-18(30-4)9-6-16/h5-10,13-15H,11-12H2,1-4H3,(H,24,28)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 95097028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).