1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

C20H24N4O2S — CID 56554524

IUPAC1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C20H24N4O2S/c1-13-12-21-19(26)24(13)15-9-6-5-8-14(15)22-18(25)23-17(20(2,3)4)16-10-7-11-27-16/h5-12,17H,1-4H3,(H,21,26)(H2,22,23,25)
InChIKeyZNPPBDXKSCUYGK-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (PubChem CID 56554524) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
PubChem CID56554524
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C20H24N4O2S/c1-13-12-21-19(26)24(13)15-9-6-5-8-14(15)22-18(25)23-17(20(2,3)4)16-10-7-11-27-16/h5-12,17H,1-4H3,(H,21,26)(H2,22,23,25)
InChIKeyZNPPBDXKSCUYGK-UHFFFAOYSA-N
XLogP4.44
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea with MolForge

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Related Compounds

1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 167800583
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
CID 56587017
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56503336
1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 56553422
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea
CID 167760551
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554386
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56554813
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 56503203
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553525
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 56553698
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
CID 56587117

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The IUPAC name of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (CID 56554524) is 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NC(c1cccs1)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The InChIKey is ZNPPBDXKSCUYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-12-21-19(26)24(13)15-9-6-5-8-14(15)22-18(25)23-17(20(2,3)4)16-10-7-11-27-16/h5-12,17H,1-4H3,(H,21,26)(H2,22,23,25).
What are the key properties of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea has a molecular weight of 384.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is sourced from PubChem (CID 56554524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).