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

C21H26N4O — CID 145351930

IUPAC1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
SMILESO=C(NC[C@H]1c2ccccc2-c2cncn21)N(C1CCCCC1)C1CC1
InChIInChI=1S/C21H26N4O/c26-21(25(16-10-11-16)15-6-2-1-3-7-15)23-13-20-18-9-5-4-8-17(18)19-12-22-14-24(19)20/h4-5,8-9,12,14-16,20H,1-3,6-7,10-11,13H2,(H,23,26)/t20-/m0/s1
InChIKeyOWUJYJVNUJAEHA-FQEVSTJZSA-N
MW350.47 g/mol
LogP3.96
Rot. Bonds4

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

1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea (PubChem CID 145351930) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
PubChem CID145351930
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
SMILESO=C(NC[C@H]1c2ccccc2-c2cncn21)N(C1CCCCC1)C1CC1
InChIInChI=1S/C21H26N4O/c26-21(25(16-10-11-16)15-6-2-1-3-7-15)23-13-20-18-9-5-4-8-17(18)19-12-22-14-24(19)20/h4-5,8-9,12,14-16,20H,1-3,6-7,10-11,13H2,(H,23,26)/t20-/m0/s1
InChIKeyOWUJYJVNUJAEHA-FQEVSTJZSA-N
XLogP3.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351818
(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
CID 145351978
1-(4-cyano-2-cyclohexyloxyphenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504264
cyclohexyl 4-(5H-imidazo[5,1-a]isoindol-5-yl)butanoate
CID 118690890
(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
CID 118857872
1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
CID 122504291
1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504382
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
CID 172804515
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide
CID 145351905
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea (CID 145351930) is 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea is O=C(NC[C@H]1c2ccccc2-c2cncn21)N(C1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
The InChIKey is OWUJYJVNUJAEHA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25(16-10-11-16)15-6-2-1-3-7-15)23-13-20-18-9-5-4-8-17(18)19-12-22-14-24(19)20/h4-5,8-9,12,14-16,20H,1-3,6-7,10-11,13H2,(H,23,26)/t20-/m0/s1.
What are the key properties of 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea?
1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea has a molecular weight of 350.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea is sourced from PubChem (CID 145351930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).