1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

C16H19ClN4O — CID 95309946

IUPAC1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O/c1-11(9-21-7-6-18-10-21)19-16(22)20-15-8-13(15)12-4-2-3-5-14(12)17/h2-7,10-11,13,15H,8-9H2,1H3,(H2,19,20,22)/t11-,13-,15-/m1/s1
InChIKeyFGFPOBPPQGNHSL-UXIGCNINSA-N
MW318.81 g/mol
LogP2.78
Rot. Bonds5

About 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (PubChem CID 95309946) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
PubChem CID95309946
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C16H19ClN4O/c1-11(9-21-7-6-18-10-21)19-16(22)20-15-8-13(15)12-4-2-3-5-14(12)17/h2-7,10-11,13,15H,8-9H2,1H3,(H2,19,20,22)/t11-,13-,15-/m1/s1
InChIKeyFGFPOBPPQGNHSL-UXIGCNINSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183170
1-(2-benzylpyrazol-3-yl)-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95273993
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854
1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (CID 95309946) is 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl.
What is the InChIKey of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The InChIKey is FGFPOBPPQGNHSL-UXIGCNINSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11(9-21-7-6-18-10-21)19-16(22)20-15-8-13(15)12-4-2-3-5-14(12)17/h2-7,10-11,13,15H,8-9H2,1H3,(H2,19,20,22)/t11-,13-,15-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea has a molecular weight of 318.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95309946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).