morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone

C24H24N6O2 — CID 85081614

IUPACmorpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
SMILESCC(Nc1cncc(-n2cnc3ccc(C(=O)N4CCOCC4)cc32)n1)c1ccccc1
InChIInChI=1S/C24H24N6O2/c1-17(18-5-3-2-4-6-18)27-22-14-25-15-23(28-22)30-16-26-20-8-7-19(13-21(20)30)24(31)29-9-11-32-12-10-29/h2-8,13-17H,9-12H2,1H3,(H,27,28)
InChIKeyUDUMBJQVUOZYTG-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.46
Rot. Bonds5

About morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone

morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone (PubChem CID 85081614) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
PubChem CID85081614
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Namemorpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
SMILESCC(Nc1cncc(-n2cnc3ccc(C(=O)N4CCOCC4)cc32)n1)c1ccccc1
InChIInChI=1S/C24H24N6O2/c1-17(18-5-3-2-4-6-18)27-22-14-25-15-23(28-22)30-16-26-20-8-7-19(13-21(20)30)24(31)29-9-11-32-12-10-29/h2-8,13-17H,9-12H2,1H3,(H,27,28)
InChIKeyUDUMBJQVUOZYTG-UHFFFAOYSA-N
XLogP3.46
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10368118
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
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
N-(3-imidazol-1-ylpropyl)-3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10479664
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone (CID 85081614) is morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone is CC(Nc1cncc(-n2cnc3ccc(C(=O)N4CCOCC4)cc32)n1)c1ccccc1.
What is the InChIKey of morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone?
The InChIKey is UDUMBJQVUOZYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17(18-5-3-2-4-6-18)27-22-14-25-15-23(28-22)30-16-26-20-8-7-19(13-21(20)30)24(31)29-9-11-32-12-10-29/h2-8,13-17H,9-12H2,1H3,(H,27,28).
What are the key properties of morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone?
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone has a molecular weight of 428.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone is sourced from PubChem (CID 85081614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).