1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea

C19H15N5O — CID 122504382

IUPAC1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
SMILESN#Cc1ccc(NC(=O)NCC2c3ccccc3-c3cncn32)cc1
InChIInChI=1S/C19H15N5O/c20-9-13-5-7-14(8-6-13)23-19(25)22-11-18-16-4-2-1-3-15(16)17-10-21-12-24(17)18/h1-8,10,12,18H,11H2,(H2,22,23,25)
InChIKeyUXLPCQZDOXNMLN-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.15
Rot. Bonds3

About 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea

1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea (PubChem CID 122504382) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
PubChem CID122504382
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
SMILESN#Cc1ccc(NC(=O)NCC2c3ccccc3-c3cncn32)cc1
InChIInChI=1S/C19H15N5O/c20-9-13-5-7-14(8-6-13)23-19(25)22-11-18-16-4-2-1-3-15(16)17-10-21-12-24(17)18/h1-8,10,12,18H,11H2,(H2,22,23,25)
InChIKeyUXLPCQZDOXNMLN-UHFFFAOYSA-N
XLogP3.15
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504461
1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
CID 122504291
4-(5H-imidazo[5,1-a]isoindol-5-ylmethylsulfamoylamino)benzonitrile
CID 122504424
1-(4-cyano-2-cyclohexyloxyphenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504264
N-(4-cyanophenyl)-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 70874806
1-(4-cyanophenyl)-3-[8-[(1S)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-5-tricyclo[3.3.1.02,7]non-2-enyl]urea
CID 122498942
1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea
CID 122504288
1-(4-cyanophenyl)-3-[3-cyclohexyl-1-(5H-imidazo[5,1-a]isoindol-5-yl)propyl]urea
CID 122504481
4-[[1-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)ethylamino]methyl]benzonitrile
CID 145139926
(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-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351930

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea (CID 122504382) is 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea is N#Cc1ccc(NC(=O)NCC2c3ccccc3-c3cncn32)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea?
The InChIKey is UXLPCQZDOXNMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-9-13-5-7-14(8-6-13)23-19(25)22-11-18-16-4-2-1-3-15(16)17-10-21-12-24(17)18/h1-8,10,12,18H,11H2,(H2,22,23,25).
What are the key properties of 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea?
1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea has a molecular weight of 329.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea is sourced from PubChem (CID 122504382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).