3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine

C22H20N6 — CID 66745574

IUPAC3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
SMILESNc1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N6/c23-21-20(22-26-17-8-4-5-9-18(17)27-22)25-19(14-24-21)15-10-12-28(13-11-15)16-6-2-1-3-7-16/h1-10,14H,11-13H2,(H2,23,24)(H,26,27)
InChIKeyCWQYPWOEWUAQAQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.90
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine

3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine (PubChem CID 66745574) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
PubChem CID66745574
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
SMILESNc1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N6/c23-21-20(22-26-17-8-4-5-9-18(17)27-22)25-19(14-24-21)15-10-12-28(13-11-15)16-6-2-1-3-7-16/h1-10,14H,11-13H2,(H2,23,24)(H,26,27)
InChIKeyCWQYPWOEWUAQAQ-UHFFFAOYSA-N
XLogP3.90
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
CID 66745483
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
3-(1H-benzimidazol-2-yl)-5-(1-pyridin-3-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine
CID 66745302
tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 66744919
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclohexylmethanone;molecular hydrogen
CID 159496567
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone;molecular hydrogen
CID 159470106
3-(1H-benzimidazol-2-yl)-5-(2,3-dihydropyridin-4-yl)pyrazin-2-amine
CID 141267876
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen
CID 160853998
1-[4-[5-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 46199874
4-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-4-oxobutanoic acid
CID 91006690

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine (CID 66745574) is 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine is Nc1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
The InChIKey is CWQYPWOEWUAQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c23-21-20(22-26-17-8-4-5-9-18(17)27-22)25-19(14-24-21)15-10-12-28(13-11-15)16-6-2-1-3-7-16/h1-10,14H,11-13H2,(H2,23,24)(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine?
3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine has a molecular weight of 368.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 66745574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).