1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea

C24H20N4O — CID 122504291

IUPAC1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
SMILESO=C(NCC1c2ccccc2-c2cncn21)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H20N4O/c29-24(27-19-10-6-9-18(13-19)17-7-2-1-3-8-17)26-15-23-21-12-5-4-11-20(21)22-14-25-16-28(22)23/h1-14,16,23H,15H2,(H2,26,27,29)
InChIKeyJPQGXOMWUVEICO-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.94
Rot. Bonds4

About 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea

1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea (PubChem CID 122504291) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea.

Molecular Properties

Compound Name1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
PubChem CID122504291
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
SMILESO=C(NCC1c2ccccc2-c2cncn21)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H20N4O/c29-24(27-19-10-6-9-18(13-19)17-7-2-1-3-8-17)26-15-23-21-12-5-4-11-20(21)22-14-25-16-28(22)23/h1-14,16,23H,15H2,(H2,26,27,29)
InChIKeyJPQGXOMWUVEICO-UHFFFAOYSA-N
XLogP4.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridin-4-ylphenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504308
1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504382
3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide
CID 145351905
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504461
4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
CID 172804515
(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
CID 145351978
1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351818
1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
CID 145140028
1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351930
1-(4-cyano-2-cyclohexyloxyphenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504264
4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-phenylpiperidine-1-carboxamide
CID 66558639
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339

Frequently Asked Questions

What is the IUPAC name of 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea?
The IUPAC name of 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea (CID 122504291) is 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea.
What is the SMILES notation for 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea?
The canonical SMILES for 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea is O=C(NCC1c2ccccc2-c2cncn21)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea?
The InChIKey is JPQGXOMWUVEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c29-24(27-19-10-6-9-18(13-19)17-7-2-1-3-8-17)26-15-23-21-12-5-4-11-20(21)22-14-25-16-28(22)23/h1-14,16,23H,15H2,(H2,26,27,29).
What are the key properties of 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea?
1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea has a molecular weight of 380.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea is sourced from PubChem (CID 122504291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).