1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea

C19H20N4O3 — CID 66552582

IUPAC1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea
SMILESO=C(NCCCCO)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-11-5-4-10-20-19(26)23-18-21-15-9-8-14(12-16(15)22-18)17(25)13-6-2-1-3-7-13/h1-3,6-9,12,24H,4-5,10-11H2,(H3,20,21,22,23,26)
InChIKeyOKORFLOXJGGALE-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.69
Rot. Bonds7

About 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea

1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea (PubChem CID 66552582) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea
PubChem CID66552582
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea
SMILESO=C(NCCCCO)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-11-5-4-10-20-19(26)23-18-21-15-9-8-14(12-16(15)22-18)17(25)13-6-2-1-3-7-13/h1-3,6-9,12,24H,4-5,10-11H2,(H3,20,21,22,23,26)
InChIKeyOKORFLOXJGGALE-UHFFFAOYSA-N
XLogP2.69
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea?
The IUPAC name of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea (CID 66552582) is 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea.
What is the SMILES notation for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea?
The canonical SMILES for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea is O=C(NCCCCO)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea?
The InChIKey is OKORFLOXJGGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-11-5-4-10-20-19(26)23-18-21-15-9-8-14(12-16(15)22-18)17(25)13-6-2-1-3-7-13/h1-3,6-9,12,24H,4-5,10-11H2,(H3,20,21,22,23,26).
What are the key properties of 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea?
1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea has a molecular weight of 352.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxybutyl)urea is sourced from PubChem (CID 66552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).