1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea

C22H25FN4O — CID 36508070

IUPAC1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
SMILESC[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1ccccc1F)c1nccn1C
InChIInChI=1S/C22H25FN4O/c1-16(12-13-17-8-4-3-5-9-17)25-22(28)26-20(21-24-14-15-27(21)2)18-10-6-7-11-19(18)23/h3-11,14-16,20H,12-13H2,1-2H3,(H2,25,26,28)/t16-,20+/m0/s1
InChIKeyKUPMHRXHLFBGFI-OXJNMPFZSA-N
MW380.47 g/mol
LogP3.97
Rot. Bonds7

About 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea

1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea (PubChem CID 36508070) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
PubChem CID36508070
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
SMILESC[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1ccccc1F)c1nccn1C
InChIInChI=1S/C22H25FN4O/c1-16(12-13-17-8-4-3-5-9-17)25-22(28)26-20(21-24-14-15-27(21)2)18-10-6-7-11-19(18)23/h3-11,14-16,20H,12-13H2,1-2H3,(H2,25,26,28)/t16-,20+/m0/s1
InChIKeyKUPMHRXHLFBGFI-OXJNMPFZSA-N
XLogP3.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-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-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
1-[2-(4-chlorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36505789
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393
1-(2,4-difluorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430485
N-[3-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]propyl]acetamide
CID 36973030
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 41430481
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38203555
2-(2-chlorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953992
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea?
The IUPAC name of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea (CID 36508070) is 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea.
What is the SMILES notation for 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea?
The canonical SMILES for 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea is C[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1ccccc1F)c1nccn1C.
What is the InChIKey of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea?
The InChIKey is KUPMHRXHLFBGFI-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16(12-13-17-8-4-3-5-9-17)25-22(28)26-20(21-24-14-15-27(21)2)18-10-6-7-11-19(18)23/h3-11,14-16,20H,12-13H2,1-2H3,(H2,25,26,28)/t16-,20+/m0/s1.
What are the key properties of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea?
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea has a molecular weight of 380.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea is sourced from PubChem (CID 36508070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).