1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide

C20H18N6O — CID 85152916

IUPAC1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
SMILESCC(Nc1cncc(-n2cnc3cc(C(N)=O)ccc32)n1)c1ccccc1
InChIInChI=1S/C20H18N6O/c1-13(14-5-3-2-4-6-14)24-18-10-22-11-19(25-18)26-12-23-16-9-15(20(21)27)7-8-17(16)26/h2-13H,1H3,(H2,21,27)(H,24,25)
InChIKeyDNHRNYJLTGFXOC-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.09
Rot. Bonds5

About 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide

1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide (PubChem CID 85152916) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
PubChem CID85152916
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
SMILESCC(Nc1cncc(-n2cnc3cc(C(N)=O)ccc32)n1)c1ccccc1
InChIInChI=1S/C20H18N6O/c1-13(14-5-3-2-4-6-14)24-18-10-22-11-19(25-18)26-12-23-16-9-15(20(21)27)7-8-17(16)26/h2-13H,1H3,(H2,21,27)(H,24,25)
InChIKeyDNHRNYJLTGFXOC-UHFFFAOYSA-N
XLogP3.09
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10368118
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
CID 10252763
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide (CID 85152916) is 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide is CC(Nc1cncc(-n2cnc3cc(C(N)=O)ccc32)n1)c1ccccc1.
What is the InChIKey of 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide?
The InChIKey is DNHRNYJLTGFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13(14-5-3-2-4-6-14)24-18-10-22-11-19(25-18)26-12-23-16-9-15(20(21)27)7-8-17(16)26/h2-13H,1H3,(H2,21,27)(H,24,25).
What are the key properties of 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide?
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 85152916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).