1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea

C17H22N4OS — CID 95261587

IUPAC1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C17H22N4OS/c1-14(11-21-10-9-18-13-21)20-16(22)19-12-17(7-8-17)23-15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyVJRNOZPKDUAGMA-CQSZACIVSA-N
MW330.46 g/mol
LogP2.90
Rot. Bonds7

About 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea (PubChem CID 95261587) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
PubChem CID95261587
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C17H22N4OS/c1-14(11-21-10-9-18-13-21)20-16(22)19-12-17(7-8-17)23-15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyVJRNOZPKDUAGMA-CQSZACIVSA-N
XLogP2.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea with MolForge

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Related Compounds

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[(1-phenylsulfanylcyclopropyl)methyl]guanidine;hydroiodide
CID 111557053
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
1-[(3-bromophenyl)methyl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95045519
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea (CID 95261587) is 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea is C[C@H](Cn1ccnc1)NC(=O)NCC1(Sc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
The InChIKey is VJRNOZPKDUAGMA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-14(11-21-10-9-18-13-21)20-16(22)19-12-17(7-8-17)23-15-5-3-2-4-6-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea?
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea has a molecular weight of 330.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea is sourced from PubChem (CID 95261587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).