1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea

C19H17N5O3S — CID 10620700

IUPAC1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(-n2cnc(C#N)c2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17N5O3S/c1-13-3-7-15(8-4-13)24-12-21-17(11-20)18(24)22-19(25)23-28(26,27)16-9-5-14(2)6-10-16/h3-10,12H,1-2H3,(H2,22,23,25)
InChIKeyPDSQXOIDRHPAIO-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.87
Rot. Bonds4

About 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea

1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 10620700) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
PubChem CID10620700
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(-n2cnc(C#N)c2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17N5O3S/c1-13-3-7-15(8-4-13)24-12-21-17(11-20)18(24)22-19(25)23-28(26,27)16-9-5-14(2)6-10-16/h3-10,12H,1-2H3,(H2,22,23,25)
InChIKeyPDSQXOIDRHPAIO-UHFFFAOYSA-N
XLogP2.87
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea
CID 10427126
2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide
CID 66573212
1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 142713680
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 67245194
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea
CID 110191765
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea (CID 10620700) is 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(-n2cnc(C#N)c2NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is PDSQXOIDRHPAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-13-3-7-15(8-4-13)24-12-21-17(11-20)18(24)22-19(25)23-28(26,27)16-9-5-14(2)6-10-16/h3-10,12H,1-2H3,(H2,22,23,25).
What are the key properties of 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea?
1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 395.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 10620700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).