1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea

C19H20FN5O — CID 21050251

IUPAC1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nc2ccccc2n1C1CCNCC1
InChIInChI=1S/C19H20FN5O/c20-13-5-7-14(8-6-13)22-19(26)24-18-23-16-3-1-2-4-17(16)25(18)15-9-11-21-12-10-15/h1-8,15,21H,9-12H2,(H2,22,23,24,26)
InChIKeyHKJOWJXMPFGTAN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.74
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea

1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea (PubChem CID 21050251) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea
PubChem CID21050251
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nc2ccccc2n1C1CCNCC1
InChIInChI=1S/C19H20FN5O/c20-13-5-7-14(8-6-13)22-19(26)24-18-23-16-3-1-2-4-17(16)25(18)15-9-11-21-12-10-15/h1-8,15,21H,9-12H2,(H2,22,23,24,26)
InChIKeyHKJOWJXMPFGTAN-UHFFFAOYSA-N
XLogP3.74
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_imidazole(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea (CID 21050251) is 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea is O=C(Nc1ccc(F)cc1)Nc1nc2ccccc2n1C1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea?
The InChIKey is HKJOWJXMPFGTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-13-5-7-14(8-6-13)22-19(26)24-18-23-16-3-1-2-4-17(16)25(18)15-9-11-21-12-10-15/h1-8,15,21H,9-12H2,(H2,22,23,24,26).
What are the key properties of 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea?
1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea has a molecular weight of 353.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-piperidin-4-ylbenzimidazol-2-yl)urea is sourced from PubChem (CID 21050251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).