1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

C23H21FN4O — CID 46382358

IUPAC1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc21
InChIInChI=1S/C23H21FN4O/c1-28-21-9-5-4-8-20(21)26-22(28)15-12-16-10-13-17(14-11-16)25-23(29)27-19-7-3-2-6-18(19)24/h2-11,13-14H,12,15H2,1H3,(H2,25,27,29)
InChIKeyHQENOSOKZPHNMG-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.14
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea

1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382358) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382358
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc21
InChIInChI=1S/C23H21FN4O/c1-28-21-9-5-4-8-20(21)26-22(28)15-12-16-10-13-17(14-11-16)25-23(29)27-19-7-3-2-6-18(19)24/h2-11,13-14H,12,15H2,1H3,(H2,25,27,29)
InChIKeyHQENOSOKZPHNMG-UHFFFAOYSA-N
XLogP5.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382358) is 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is Cn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc21.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is HQENOSOKZPHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-28-21-9-5-4-8-20(21)26-22(28)15-12-16-10-13-17(14-11-16)25-23(29)27-19-7-3-2-6-18(19)24/h2-11,13-14H,12,15H2,1H3,(H2,25,27,29).
What are the key properties of 1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(2-fluorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 388.45 g/mol, XLogP of 5.14, 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-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).