1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea

C17H21ClN4O — CID 99847297

IUPAC1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESC[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1nccn1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O/c1-11-9-14(11)16(12-3-5-13(18)6-4-12)21-17(23)20-10-15-19-7-8-22(15)2/h3-8,11,14,16H,9-10H2,1-2H3,(H2,20,21,23)/t11-,14+,16+/m1/s1
InChIKeyKEJWUGLEMWBICE-WPGHFRTFSA-N
MW332.84 g/mol
LogP3.27
Rot. Bonds5

About 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea

1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 99847297) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID99847297
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESC[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1nccn1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O/c1-11-9-14(11)16(12-3-5-13(18)6-4-12)21-17(23)20-10-15-19-7-8-22(15)2/h3-8,11,14,16H,9-10H2,1-2H3,(H2,20,21,23)/t11-,14+,16+/m1/s1
InChIKeyKEJWUGLEMWBICE-WPGHFRTFSA-N
XLogP3.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea (CID 99847297) is 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea is C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1nccn1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is KEJWUGLEMWBICE-WPGHFRTFSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-9-14(11)16(12-3-5-13(18)6-4-12)21-17(23)20-10-15-19-7-8-22(15)2/h3-8,11,14,16H,9-10H2,1-2H3,(H2,20,21,23)/t11-,14+,16+/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea?
1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 332.84 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 99847297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).