N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide

C23H22N6O — CID 85141042

IUPACN-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCC(Nc1cncc(-n2cnc3cc(NC(=O)C4CC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C23H22N6O/c1-15(16-5-3-2-4-6-16)26-21-12-24-13-22(28-21)29-14-25-19-11-18(9-10-20(19)29)27-23(30)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,26,28)(H,27,30)
InChIKeyBNLISOMNIBYKOT-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.34
Rot. Bonds6

About N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide

N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 85141042) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID85141042
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCC(Nc1cncc(-n2cnc3cc(NC(=O)C4CC4)ccc32)n1)c1ccccc1
InChIInChI=1S/C23H22N6O/c1-15(16-5-3-2-4-6-16)26-21-12-24-13-22(28-21)29-14-25-19-11-18(9-10-20(19)29)27-23(30)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,26,28)(H,27,30)
InChIKeyBNLISOMNIBYKOT-UHFFFAOYSA-N
XLogP4.34
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.34
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]piperidine-3-carboxamide
CID 10252763
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-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 18342799
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
CID 85152916
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
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10368118
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide (CID 85141042) is N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide is CC(Nc1cncc(-n2cnc3cc(NC(=O)C4CC4)ccc32)n1)c1ccccc1.
What is the InChIKey of N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is BNLISOMNIBYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15(16-5-3-2-4-6-16)26-21-12-24-13-22(28-21)29-14-25-19-11-18(9-10-20(19)29)27-23(30)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide?
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 85141042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).