1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea

C18H26N4OS — CID 72929270

IUPAC1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccccc1SC(C)C
InChIInChI=1S/C18H26N4OS/c1-5-11-22(13-17-19-10-12-21(17)4)18(23)20-15-8-6-7-9-16(15)24-14(2)3/h6-10,12,14H,5,11,13H2,1-4H3,(H,20,23)
InChIKeyQNUVDNUJJMEEEE-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.36
Rot. Bonds7

About 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea

1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea (PubChem CID 72929270) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
PubChem CID72929270
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccccc1SC(C)C
InChIInChI=1S/C18H26N4OS/c1-5-11-22(13-17-19-10-12-21(17)4)18(23)20-15-8-6-7-9-16(15)24-14(2)3/h6-10,12,14H,5,11,13H2,1-4H3,(H,20,23)
InChIKeyQNUVDNUJJMEEEE-UHFFFAOYSA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
CID 118788930
1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
CID 72878655
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217
1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72849632
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
CID 72902277

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea (CID 72929270) is 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea is CCCN(Cc1nccn1C)C(=O)Nc1ccccc1SC(C)C.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea?
The InChIKey is QNUVDNUJJMEEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-11-22(13-17-19-10-12-21(17)4)18(23)20-15-8-6-7-9-16(15)24-14(2)3/h6-10,12,14H,5,11,13H2,1-4H3,(H,20,23).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea?
1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea has a molecular weight of 346.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea is sourced from PubChem (CID 72929270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).