3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide

C15H18N4O — CID 3569547

IUPAC3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2
InChIInChI=1S/C15H18N4O/c16-18-15(20)13-12-9-5-2-6-10-19(12)14(17-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2,(H,18,20)
InChIKeyPARRCDRRBHQHOX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.88
Rot. Bonds2

About 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide

3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide (PubChem CID 3569547) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide
PubChem CID3569547
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2
InChIInChI=1S/C15H18N4O/c16-18-15(20)13-12-9-5-2-6-10-19(12)14(17-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2,(H,18,20)
InChIKeyPARRCDRRBHQHOX-UHFFFAOYSA-N
XLogP1.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-8-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 25132791
3-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 9660972
N-(2-Fluorophenyl)-3-(3-fluorophenyl)-N-methyl-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 16019938
N-Benzyl-N-ethyl-3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 16020463
N-Benzyl-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 16021679
N-(Butan-2-YL)-3-(3-fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 20904945
1-[3-(3-Fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carbonyl]azepane
CID 20904950
1-[3-(3-Fluorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carbonyl]-4-phenylpiperazine
CID 20904956
N-(2,4-difluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626041
3-(3-fluorophenyl)-N-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626085
3-(3-Fluorophenyl)-N-methyl-N-phenyl-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carboxamide
CID 6626128
1-[3-(4-Methylphenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carbonyl]-4-phenylpiperazine
CID 16018368

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide?
The IUPAC name of 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide (CID 3569547) is 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide.
What is the SMILES notation for 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide?
The canonical SMILES for 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide is NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2.
What is the InChIKey of 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide?
The InChIKey is PARRCDRRBHQHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-18-15(20)13-12-9-5-2-6-10-19(12)14(17-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2,(H,18,20).
What are the key properties of 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide?
3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide has a molecular weight of 270.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbohydrazide is sourced from PubChem (CID 3569547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).