1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea

C24H32N4O — CID 145351818

IUPAC1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
SMILESO=C(NC[C@H]1c2ccccc2-c2cncn21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H32N4O/c29-24(28(18-9-3-1-4-10-18)19-11-5-2-6-12-19)26-16-23-21-14-8-7-13-20(21)22-15-25-17-27(22)23/h7-8,13-15,17-19,23H,1-6,9-12,16H2,(H,26,29)/t23-/m0/s1
InChIKeyUPLCFMPLPANAOL-QHCPKHFHSA-N
MW392.55 g/mol
LogP5.13
Rot. Bonds4

About 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea

1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea (PubChem CID 145351818) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
PubChem CID145351818
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
SMILESO=C(NC[C@H]1c2ccccc2-c2cncn21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H32N4O/c29-24(28(18-9-3-1-4-10-18)19-11-5-2-6-12-19)26-16-23-21-14-8-7-13-20(21)22-15-25-17-27(22)23/h7-8,13-15,17-19,23H,1-6,9-12,16H2,(H,26,29)/t23-/m0/s1
InChIKeyUPLCFMPLPANAOL-QHCPKHFHSA-N
XLogP5.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
The IUPAC name of 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea (CID 145351818) is 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea.
What is the SMILES notation for 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
The canonical SMILES for 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea is O=C(NC[C@H]1c2ccccc2-c2cncn21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
The InChIKey is UPLCFMPLPANAOL-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(28(18-9-3-1-4-10-18)19-11-5-2-6-12-19)26-16-23-21-14-8-7-13-20(21)22-15-25-17-27(22)23/h7-8,13-15,17-19,23H,1-6,9-12,16H2,(H,26,29)/t23-/m0/s1.
What are the key properties of 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea has a molecular weight of 392.55 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea is sourced from PubChem (CID 145351818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).