1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea

C17H21ClN4O — CID 126450388

IUPAC1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
SMILESCCc1cc(Cl)ccc1NC(=O)N[C@@H](c1nccn1C)C1CC1
InChIInChI=1S/C17H21ClN4O/c1-3-11-10-13(18)6-7-14(11)20-17(23)21-15(12-4-5-12)16-19-8-9-22(16)2/h6-10,12,15H,3-5H2,1-2H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyYOYDBAHLUQBWBT-OAHLLOKOSA-N
MW332.84 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea

1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 126450388) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
PubChem CID126450388
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
SMILESCCc1cc(Cl)ccc1NC(=O)N[C@@H](c1nccn1C)C1CC1
InChIInChI=1S/C17H21ClN4O/c1-3-11-10-13(18)6-7-14(11)20-17(23)21-15(12-4-5-12)16-19-8-9-22(16)2/h6-10,12,15H,3-5H2,1-2H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyYOYDBAHLUQBWBT-OAHLLOKOSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(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

Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 97282292
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 125159632
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 95562906
1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
CID 118793287
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea (CID 126450388) is 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea is CCc1cc(Cl)ccc1NC(=O)N[C@@H](c1nccn1C)C1CC1.
What is the InChIKey of 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is YOYDBAHLUQBWBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-11-10-13(18)6-7-14(11)20-17(23)21-15(12-4-5-12)16-19-8-9-22(16)2/h6-10,12,15H,3-5H2,1-2H3,(H2,20,21,23)/t15-/m1/s1.
What are the key properties of 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 332.84 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 126450388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).