N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C27H34N4O — CID 46273787

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3ccccc3)c3n2CCCCC3)cc1
InChIInChI=1S/C27H34N4O/c1-21-13-15-23(16-14-21)26-28-25(24-12-8-5-9-17-31(24)26)27(32)30(19-18-29(2)3)20-22-10-6-4-7-11-22/h4,6-7,10-11,13-16H,5,8-9,12,17-20H2,1-3H3
InChIKeySCNWVYXGJBZFIA-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.79
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 46273787) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
PubChem CID46273787
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3ccccc3)c3n2CCCCC3)cc1
InChIInChI=1S/C27H34N4O/c1-21-13-15-23(16-14-21)26-28-25(24-12-8-5-9-17-31(24)26)27(32)30(19-18-29(2)3)20-22-10-6-4-7-11-22/h4,6-7,10-11,13-16H,5,8-9,12,17-20H2,1-3H3
InChIKeySCNWVYXGJBZFIA-UHFFFAOYSA-N
XLogP4.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551165
N-butyl-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626025
N-ethyl-N-(2-methylphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551179
1-N-benzyl-3-N,3-N-diethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076306
N-ethyl-N-(4-ethylphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551169
3-N-benzyl-1-N-butyl-3-N-ethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076403
3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076609
1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073493
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551185
azocan-1-yl-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55628775
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 55636679

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 46273787) is N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is Cc1ccc(-c2nc(C(=O)N(CCN(C)C)Cc3ccccc3)c3n2CCCCC3)cc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The InChIKey is SCNWVYXGJBZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-21-13-15-23(16-14-21)26-28-25(24-12-8-5-9-17-31(24)26)27(32)30(19-18-29(2)3)20-22-10-6-4-7-11-22/h4,6-7,10-11,13-16H,5,8-9,12,17-20H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 46273787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).