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

C24H23FN4O — CID 46382323

IUPAC1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
SMILESCCn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc21
InChIInChI=1S/C24H23FN4O/c1-2-29-22-10-6-5-9-21(22)27-23(29)16-13-17-11-14-18(15-12-17)26-24(30)28-20-8-4-3-7-19(20)25/h3-12,14-15H,2,13,16H2,1H3,(H2,26,28,30)
InChIKeyFIEMDEZNYAGQQO-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.62
Rot. Bonds6

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

1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea (PubChem CID 46382323) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
PubChem CID46382323
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
SMILESCCn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc21
InChIInChI=1S/C24H23FN4O/c1-2-29-22-10-6-5-9-21(22)27-23(29)16-13-17-11-14-18(15-12-17)26-24(30)28-20-8-4-3-7-19(20)25/h3-12,14-15H,2,13,16H2,1H3,(H2,26,28,30)
InChIKeyFIEMDEZNYAGQQO-UHFFFAOYSA-N
XLogP5.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea (CID 46382323) is 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea is CCn1c(CCc2ccc(NC(=O)Nc3ccccc3F)cc2)nc2ccccc21.
What is the InChIKey of 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
The InChIKey is FIEMDEZNYAGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-2-29-22-10-6-5-9-21(22)27-23(29)16-13-17-11-14-18(15-12-17)26-24(30)28-20-8-4-3-7-19(20)25/h3-12,14-15H,2,13,16H2,1H3,(H2,26,28,30).
What are the key properties of 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea?
1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 402.47 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 46382323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).