N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide

C23H23N5O — CID 134806201

IUPACN-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESN#Cc1cccc(CN2CCc3ncc(C(=O)NCc4ccccc4)n3CC2)c1
InChIInChI=1S/C23H23N5O/c24-14-19-7-4-8-20(13-19)17-27-10-9-22-25-16-21(28(22)12-11-27)23(29)26-15-18-5-2-1-3-6-18/h1-8,13,16H,9-12,15,17H2,(H,26,29)
InChIKeyACRGXFUHJZSTEK-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.74
Rot. Bonds5

About N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide

N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (PubChem CID 134806201) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
PubChem CID134806201
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESN#Cc1cccc(CN2CCc3ncc(C(=O)NCc4ccccc4)n3CC2)c1
InChIInChI=1S/C23H23N5O/c24-14-19-7-4-8-20(13-19)17-27-10-9-22-25-16-21(28(22)12-11-27)23(29)26-15-18-5-2-1-3-6-18/h1-8,13,16H,9-12,15,17H2,(H,26,29)
InChIKeyACRGXFUHJZSTEK-UHFFFAOYSA-N
XLogP2.74
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-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

3-[[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]benzonitrile
CID 97466999
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134807137
N-[(7-benzyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-2-cyclopropylacetamide
CID 97467187
[1-[(3-cyanophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl] cyanate
CID 154694398
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
3-cyano-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11249473
N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 97471245
3-[(3-cyanophenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65173055
N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 46191383
3-[[4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 35254536

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The IUPAC name of N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (CID 134806201) is N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The canonical SMILES for N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is N#Cc1cccc(CN2CCc3ncc(C(=O)NCc4ccccc4)n3CC2)c1.
What is the InChIKey of N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The InChIKey is ACRGXFUHJZSTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-14-19-7-4-8-20(13-19)17-27-10-9-22-25-16-21(28(22)12-11-27)23(29)26-15-18-5-2-1-3-6-18/h1-8,13,16H,9-12,15,17H2,(H,26,29).
What are the key properties of N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 134806201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).