N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C24H27N3O2 — CID 22551217

IUPACN-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)c1
InChIInChI=1S/C24H27N3O2/c1-17-10-12-19(13-11-17)23-26-22(21-9-4-3-5-14-27(21)23)24(28)25-16-18-7-6-8-20(15-18)29-2/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,25,28)
InChIKeyHJQJPPBHQPJXEM-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 22551217) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
PubChem CID22551217
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)c1
InChIInChI=1S/C24H27N3O2/c1-17-10-12-19(13-11-17)23-26-22(21-9-4-3-5-14-27(21)23)24(28)25-16-18-7-6-8-20(15-18)29-2/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,25,28)
InChIKeyHJQJPPBHQPJXEM-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 22551217) is N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is COc1cccc(CNC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The InChIKey is HJQJPPBHQPJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-10-12-19(13-11-17)23-26-22(21-9-4-3-5-14-27(21)23)24(28)25-16-18-7-6-8-20(15-18)29-2/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,25,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 22551217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).