2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

C21H19N3O — CID 59835285

IUPAC2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCc3cncn32)cc1OCc1ccccc1
InChIInChI=1S/C21H19N3O/c22-12-18-10-9-17(20-8-4-7-19-13-23-15-24(19)20)11-21(18)25-14-16-5-2-1-3-6-16/h1-3,5-6,9-11,13,15,20H,4,7-8,14H2
InChIKeyUCRJDECFXWEGJC-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.26
Rot. Bonds4

About 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 59835285) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID59835285
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCc3cncn32)cc1OCc1ccccc1
InChIInChI=1S/C21H19N3O/c22-12-18-10-9-17(20-8-4-7-19-13-23-15-24(19)20)11-21(18)25-14-16-5-2-1-3-6-16/h1-3,5-6,9-11,13,15,20H,4,7-8,14H2
InChIKeyUCRJDECFXWEGJC-UHFFFAOYSA-N
XLogP4.26
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile (CID 59835285) is 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is N#Cc1ccc(C2CCCc3cncn32)cc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is UCRJDECFXWEGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c22-12-18-10-9-17(20-8-4-7-19-13-23-15-24(19)20)11-21(18)25-14-16-5-2-1-3-6-16/h1-3,5-6,9-11,13,15,20H,4,7-8,14H2.
What are the key properties of 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile?
2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 329.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 59835285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).