1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea

C23H21FN4O — CID 46287017

IUPAC1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
SMILESCc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H21FN4O/c1-16-10-12-17(13-11-16)22-26-20-8-4-5-9-21(20)28(22)15-14-25-23(29)27-19-7-3-2-6-18(19)24/h2-13H,14-15H2,1H3,(H2,25,27,29)
InChIKeyKYQYVIBATSHRGD-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.97
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea

1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 46287017) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
PubChem CID46287017
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
SMILESCc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H21FN4O/c1-16-10-12-17(13-11-16)22-26-20-8-4-5-9-21(20)28(22)15-14-25-23(29)27-19-7-3-2-6-18(19)24/h2-13H,14-15H2,1H3,(H2,25,27,29)
InChIKeyKYQYVIBATSHRGD-UHFFFAOYSA-N
XLogP4.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287172
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46286976
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021844
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
CID 53063086
1-(2,4-difluorophenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021836

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea (CID 46287017) is 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea is Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is KYQYVIBATSHRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-16-10-12-17(13-11-16)22-26-20-8-4-5-9-21(20)28(22)15-14-25-23(29)27-19-7-3-2-6-18(19)24/h2-13H,14-15H2,1H3,(H2,25,27,29).
What are the key properties of 1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea?
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 388.45 g/mol, XLogP of 4.97, 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-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 46287017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).