4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile

C15H15N3 — CID 14097214

IUPAC4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCCc3cncn32)cc1
InChIInChI=1S/C15H15N3/c16-9-12-5-7-13(8-6-12)15-4-2-1-3-14-10-17-11-18(14)15/h5-8,10-11,15H,1-4H2
InChIKeyIVAZIKNYMMXRJK-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.07
Rot. Bonds1

About 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile

4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile (PubChem CID 14097214) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile
PubChem CID14097214
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CCCCc3cncn32)cc1
InChIInChI=1S/C15H15N3/c16-9-12-5-7-13(8-6-12)15-4-2-1-3-14-10-17-11-18(14)15/h5-8,10-11,15H,1-4H2
InChIKeyIVAZIKNYMMXRJK-UHFFFAOYSA-N
XLogP3.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fadrozole
CID 59693
Osilodrostat
CID 44139752
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CID 59694
4-(Imidazol-1-ylmethyl)benzonitrile
CID 1236449
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
4-[(5r)-5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-5-Yl]benzonitrile
CID 9815923
4-(1-Imidazol-1-yl-vinyl)-benzonitrile
CID 11819989
Osilodrostat Phosphate
CID 71009737
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
3-[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]-1-propanol
CID 13688208
(-)-Fadrozole
CID 13688212

Frequently Asked Questions

What is the IUPAC name of 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile?
The IUPAC name of 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile (CID 14097214) is 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile.
What is the SMILES notation for 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile?
The canonical SMILES for 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile is N#Cc1ccc(C2CCCCc3cncn32)cc1.
What is the InChIKey of 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile?
The InChIKey is IVAZIKNYMMXRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-9-12-5-7-13(8-6-12)15-4-2-1-3-14-10-17-11-18(14)15/h5-8,10-11,15H,1-4H2.
What are the key properties of 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile?
4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl)benzonitrile is sourced from PubChem (CID 14097214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).