1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea

C22H19N5O3S — CID 66614212

IUPAC1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c28-22(25-15-17-6-11-21(24-14-17)27-13-12-23-16-27)26-18-7-9-20(10-8-18)31(29,30)19-4-2-1-3-5-19/h1-14,16H,15H2,(H2,25,26,28)
InChIKeyFLQDGOLWNFBEFN-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.42
Rot. Bonds6

About 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea

1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 66614212) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID66614212
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c28-22(25-15-17-6-11-21(24-14-17)27-13-12-23-16-27)26-18-7-9-20(10-8-18)31(29,30)19-4-2-1-3-5-19/h1-14,16H,15H2,(H2,25,26,28)
InChIKeyFLQDGOLWNFBEFN-UHFFFAOYSA-N
XLogP3.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
Urea deriv. 31
CID 5329837
1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
1-[4-(Benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66611076
4-{5-[(4-Benzenesulfonyl-phenylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 10410324
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
{3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-phenyl}-methyl-amine
CID 10620694
N-(4-(3-(dimethylamino)propylsulfonyl)phenyl)-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-amine
CID 24884776
4-(1,2-dimethyl-1H-imidazol-5-yl)-N-(4-(3-(dimethylamino)propylsulfonyl)phenyl)pyrimidin-2-amine
CID 44589040
2-[4-(Benzylsulphonyl)anilino]-4-(1-isopropyl-2-methylimidazol-5-yl)pyrimidine
CID 44589042
1-(4-(Phenylsulfonyl)phenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610067
1-[4-(Benzenesulfonyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66613812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 66614212) is 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is FLQDGOLWNFBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-22(25-15-17-6-11-21(24-14-17)27-13-12-23-16-27)26-18-7-9-20(10-8-18)31(29,30)19-4-2-1-3-5-19/h1-14,16H,15H2,(H2,25,26,28).
What are the key properties of 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?
1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 433.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 66614212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).