[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone

C23H32N4O — CID 22551147

IUPAC[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)CC1
InChIInChI=1S/C23H32N4O/c1-3-12-25-14-16-26(17-15-25)23(28)21-20-7-5-4-6-13-27(20)22(24-21)19-10-8-18(2)9-11-19/h8-11H,3-7,12-17H2,1-2H3
InChIKeySTULMLAAIDCLOE-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.75
Rot. Bonds4

About [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone

[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 22551147) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID22551147
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)CC1
InChIInChI=1S/C23H32N4O/c1-3-12-25-14-16-26(17-15-25)23(28)21-20-7-5-4-6-13-27(20)22(24-21)19-10-8-18(2)9-11-19/h8-11H,3-7,12-17H2,1-2H3
InChIKeySTULMLAAIDCLOE-UHFFFAOYSA-N
XLogP3.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-dimethylphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
CID 22551225
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
CID 22551154
azocan-1-yl-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55628775
N-butyl-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626025
(4-ethoxypiperidin-1-yl)-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55976858
[3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 46404443
1-[4-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905371
(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074214
3-(4-chlorophenyl)-N-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20912086
3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551206
N-(2-ethylphenyl)-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551165
N-ethyl-N-(4-ethylphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551169

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone (CID 22551147) is [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)CC1.
What is the InChIKey of [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is STULMLAAIDCLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-12-25-14-16-26(17-15-25)23(28)21-20-7-5-4-6-13-27(20)22(24-21)19-10-8-18(2)9-11-19/h8-11H,3-7,12-17H2,1-2H3.
What are the key properties of [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone?
[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 380.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 22551147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).