1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

C18H24N4O3S — CID 97435833

IUPAC1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCSc1ncc(CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n1C
InChIInChI=1S/C18H24N4O3S/c1-22-14(11-20-18(22)26-2)10-19-17(23)21-13-5-7-15(8-6-13)25-12-16-4-3-9-24-16/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H2,19,21,23)/t16-/m0/s1
InChIKeyKNKYTKXDFRUHQU-INIZCTEOSA-N
MW376.48 g/mol
LogP3.02
Rot. Bonds7

About 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 97435833) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID97435833
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCSc1ncc(CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n1C
InChIInChI=1S/C18H24N4O3S/c1-22-14(11-20-18(22)26-2)10-19-17(23)21-13-5-7-15(8-6-13)25-12-16-4-3-9-24-16/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H2,19,21,23)/t16-/m0/s1
InChIKeyKNKYTKXDFRUHQU-INIZCTEOSA-N
XLogP3.02
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea with MolForge

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Related Compounds

1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
CID 118790558
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 97438213
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 94078517
3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 118768775
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 125177372
1-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97454274
1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94025132
1-ethyl-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]cyclobutane-1-carboxamide
CID 95974545
1-[4-(oxan-2-ylmethoxy)phenyl]-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 118783157
3-(4-methylpyrazol-1-yl)-N-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]propanamide
CID 164641994

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (CID 97435833) is 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is CSc1ncc(CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n1C.
What is the InChIKey of 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is KNKYTKXDFRUHQU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-22-14(11-20-18(22)26-2)10-19-17(23)21-13-5-7-15(8-6-13)25-12-16-4-3-9-24-16/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H2,19,21,23)/t16-/m0/s1.
What are the key properties of 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 376.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 97435833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).