1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea

C22H19FN4O — CID 24616480

IUPAC1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
SMILESCn1ccnc1C(NC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O/c1-27-14-13-24-21(27)20(16-9-11-17(23)12-10-16)26-22(28)25-19-8-4-6-15-5-2-3-7-18(15)19/h2-14,20H,1H3,(H2,25,26,28)
InChIKeyIHKZENZLMRNWOP-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.62
Rot. Bonds4

About 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea

1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea (PubChem CID 24616480) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
PubChem CID24616480
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
SMILESCn1ccnc1C(NC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O/c1-27-14-13-24-21(27)20(16-9-11-17(23)12-10-16)26-22(28)25-19-8-4-6-15-5-2-3-7-18(15)19/h2-14,20H,1H3,(H2,25,26,28)
InChIKeyIHKZENZLMRNWOP-UHFFFAOYSA-N
XLogP4.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea 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-(2,4-difluorophenyl)-3-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390775
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 40809559
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 25339759
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 42954354
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea (CID 24616480) is 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea is Cn1ccnc1C(NC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea?
The InChIKey is IHKZENZLMRNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-27-14-13-24-21(27)20(16-9-11-17(23)12-10-16)26-22(28)25-19-8-4-6-15-5-2-3-7-18(15)19/h2-14,20H,1H3,(H2,25,26,28).
What are the key properties of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea?
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea has a molecular weight of 374.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 24616480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).