1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea

C22H19FN4O — CID 46287172

IUPAC1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
SMILESO=C(NCCn1c(-c2ccccc2)nc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C22H19FN4O/c23-17-10-4-5-11-18(17)26-22(28)24-14-15-27-20-13-7-6-12-19(20)25-21(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,24,26,28)
InChIKeyNFHVBDDBINMUEG-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.66
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea

1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea (PubChem CID 46287172) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
PubChem CID46287172
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
SMILESO=C(NCCn1c(-c2ccccc2)nc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C22H19FN4O/c23-17-10-4-5-11-18(17)26-22(28)24-14-15-27-20-13-7-6-12-19(20)25-21(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,24,26,28)
InChIKeyNFHVBDDBINMUEG-UHFFFAOYSA-N
XLogP4.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
CID 53063086
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021836
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287181

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea (CID 46287172) is 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea is O=C(NCCn1c(-c2ccccc2)nc2ccccc21)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is NFHVBDDBINMUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-17-10-4-5-11-18(17)26-22(28)24-14-15-27-20-13-7-6-12-19(20)25-21(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,24,26,28).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 374.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 46287172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).