5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile

C25H18N6O — CID 118211468

IUPAC5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
SMILESN#Cc1ncc(Nn2cnc3ccccc32)nc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H18N6O/c26-14-22-25(19-10-12-20(13-11-19)32-16-18-6-2-1-3-7-18)29-24(15-27-22)30-31-17-28-21-8-4-5-9-23(21)31/h1-13,15,17H,16H2,(H,29,30)
InChIKeyVUMHRMWFRPVTNU-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.82
Rot. Bonds6

About 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile

5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile (PubChem CID 118211468) has the molecular formula C25H18N6O and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
PubChem CID118211468
Molecular FormulaC25H18N6O
Molecular Weight418.46 g/mol
Exact Mass418.15
IUPAC Name5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
SMILESN#Cc1ncc(Nn2cnc3ccccc32)nc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H18N6O/c26-14-22-25(19-10-12-20(13-11-19)32-16-18-6-2-1-3-7-18)29-24(15-27-22)30-31-17-28-21-8-4-5-9-23(21)31/h1-13,15,17H,16H2,(H,29,30)
InChIKeyVUMHRMWFRPVTNU-UHFFFAOYSA-N
XLogP4.82
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
CID 118211302
5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
CID 177176529
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile
CID 118211653
5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822730
3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile
CID 66926995
4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile
CID 126196057
2-fluoro-4-(4-hydroxyphenyl)benzonitrile;2-fluoro-4-(4-phenylmethoxyphenyl)benzonitrile
CID 23173787

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile (CID 118211468) is 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile is N#Cc1ncc(Nn2cnc3ccccc32)nc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
The InChIKey is VUMHRMWFRPVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O/c26-14-22-25(19-10-12-20(13-11-19)32-16-18-6-2-1-3-7-18)29-24(15-27-22)30-31-17-28-21-8-4-5-9-23(21)31/h1-13,15,17H,16H2,(H,29,30).
What are the key properties of 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile has a molecular weight of 418.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 118211468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).