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

C19H15N5O — CID 122504288

IUPAC1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea
SMILESN#Cc1ccc(NC(=O)NCC2c3ccccc3-n3cncc32)cc1
InChIInChI=1S/C19H15N5O/c20-9-13-5-7-14(8-6-13)23-19(25)22-10-16-15-3-1-2-4-17(15)24-12-21-11-18(16)24/h1-8,11-12,16H,10H2,(H2,22,23,25)
InChIKeyBEKJNHSTTUTKKN-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.01
Rot. Bonds3

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

1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea (PubChem CID 122504288) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea
PubChem CID122504288
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea
SMILESN#Cc1ccc(NC(=O)NCC2c3ccccc3-n3cncc32)cc1
InChIInChI=1S/C19H15N5O/c20-9-13-5-7-14(8-6-13)23-19(25)22-10-16-15-3-1-2-4-17(15)24-12-21-11-18(16)24/h1-8,11-12,16H,10H2,(H2,22,23,25)
InChIKeyBEKJNHSTTUTKKN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504382
1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea
CID 66005873
1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
CID 6422377
1-(4-cyanophenyl)-3-imidazo[1,5-a]pyridin-5-ylurea;molecular hydrogen
CID 142291817
1-(4-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032855
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
1-(4-cyanophenyl)-3-[3-cyclohexyl-1-(5H-imidazo[5,1-a]isoindol-5-yl)propyl]urea
CID 122504481
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504461

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea (CID 122504288) is 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea is N#Cc1ccc(NC(=O)NCC2c3ccccc3-n3cncc32)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea?
The InChIKey is BEKJNHSTTUTKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-9-13-5-7-14(8-6-13)23-19(25)22-10-16-15-3-1-2-4-17(15)24-12-21-11-18(16)24/h1-8,11-12,16H,10H2,(H2,22,23,25).
What are the key properties of 1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea?
1-(4-cyanophenyl)-3-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea has a molecular weight of 329.36 g/mol, XLogP of 3.01, 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-(4H-imidazo[1,5-a]indol-4-ylmethyl)urea is sourced from PubChem (CID 122504288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).