1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea

C15H16ClFN4O — CID 97282292

IUPAC1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C15H16ClFN4O/c1-21-8-7-18-14(21)13(9-5-6-9)20-15(22)19-11-4-2-3-10(16)12(11)17/h2-4,7-9,13H,5-6H2,1H3,(H2,19,20,22)/t13-/m0/s1
InChIKeyVDRDSXLPSOGASU-ZDUSSCGKSA-N
MW322.77 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea

1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea (PubChem CID 97282292) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
PubChem CID97282292
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C15H16ClFN4O/c1-21-8-7-18-14(21)13(9-5-6-9)20-15(22)19-11-4-2-3-10(16)12(11)17/h2-4,7-9,13H,5-6H2,1H3,(H2,19,20,22)/t13-/m0/s1
InChIKeyVDRDSXLPSOGASU-ZDUSSCGKSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-fluorophenyl)-3-[(S)-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-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 125159632
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
CID 118793287
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 95562906
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 135119010

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea (CID 97282292) is 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea is Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is VDRDSXLPSOGASU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c1-21-8-7-18-14(21)13(9-5-6-9)20-15(22)19-11-4-2-3-10(16)12(11)17/h2-4,7-9,13H,5-6H2,1H3,(H2,19,20,22)/t13-/m0/s1.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea?
1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 322.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 97282292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).