4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide

C24H26N4O — CID 172804515

IUPAC4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(NCC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H26N4O/c29-24(27-19-6-2-1-3-7-19)17-10-12-18(13-11-17)26-15-23-21-9-5-4-8-20(21)22-14-25-16-28(22)23/h1-9,14,16-18,23,26H,10-13,15H2,(H,27,29)
InChIKeyRHZBRINUDNXOEB-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.24
Rot. Bonds5

About 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide

4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide (PubChem CID 172804515) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
PubChem CID172804515
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(NCC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H26N4O/c29-24(27-19-6-2-1-3-7-19)17-10-12-18(13-11-17)26-15-23-21-9-5-4-8-20(21)22-14-25-16-28(22)23/h1-9,14,16-18,23,26H,10-13,15H2,(H,27,29)
InChIKeyRHZBRINUDNXOEB-UHFFFAOYSA-N
XLogP4.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-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

4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide
CID 66558639
1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504382
(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
CID 145351978
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
CID 145140028
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid;4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]cyclohexane-1-carboxamide
CID 158254324
benzyl N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]carbamate
CID 118931223
N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-1-bicyclo[2.2.2]octanyl]cyclohexanecarboxamide
CID 145402359
4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 70874486
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 77141528

Frequently Asked Questions

What is the IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide (CID 172804515) is 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide is O=C(Nc1ccccc1)C1CCC(NCC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide?
The InChIKey is RHZBRINUDNXOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(27-19-6-2-1-3-7-19)17-10-12-18(13-11-17)26-15-23-21-9-5-4-8-20(21)22-14-25-16-28(22)23/h1-9,14,16-18,23,26H,10-13,15H2,(H,27,29).
What are the key properties of 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide?
4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 172804515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).