1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea

C18H17FN4O2 — CID 91659482

IUPAC1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C18H17FN4O2/c1-11(24)12-3-2-4-14(9-12)21-18(25)20-8-7-17-22-15-6-5-13(19)10-16(15)23-17/h2-6,9-10H,7-8H2,1H3,(H,22,23)(H2,20,21,25)
InChIKeyIBYMOWGHWLGTIF-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.27
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea

1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea (PubChem CID 91659482) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
PubChem CID91659482
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C18H17FN4O2/c1-11(24)12-3-2-4-14(9-12)21-18(25)20-8-7-17-22-15-6-5-13(19)10-16(15)23-17/h2-6,9-10H,7-8H2,1H3,(H,22,23)(H2,20,21,25)
InChIKeyIBYMOWGHWLGTIF-UHFFFAOYSA-N
XLogP3.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]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-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 154864189
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide
CID 135101659
N-(3-acetylphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772781
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea (CID 91659482) is 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea is CC(=O)c1cccc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea?
The InChIKey is IBYMOWGHWLGTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11(24)12-3-2-4-14(9-12)21-18(25)20-8-7-17-22-15-6-5-13(19)10-16(15)23-17/h2-6,9-10H,7-8H2,1H3,(H,22,23)(H2,20,21,25).
What are the key properties of 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea?
1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea has a molecular weight of 340.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 91659482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).