5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one

C18H15N3O2 — CID 6485978

IUPAC5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCc3ccc(-c4ccccc4)o3)cc2[nH]1
InChIInChI=1S/C18H15N3O2/c22-18-20-15-8-6-13(10-16(15)21-18)19-11-14-7-9-17(23-14)12-4-2-1-3-5-12/h1-10,19H,11H2,(H2,20,21,22)
InChIKeyWYVZTOVOSNMOFG-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.73
Rot. Bonds4

About 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 6485978) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID6485978
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCc3ccc(-c4ccccc4)o3)cc2[nH]1
InChIInChI=1S/C18H15N3O2/c22-18-20-15-8-6-13(10-16(15)21-18)19-11-14-7-9-17(23-14)12-4-2-1-3-5-12/h1-10,19H,11H2,(H2,20,21,22)
InChIKeyWYVZTOVOSNMOFG-UHFFFAOYSA-N
XLogP3.73
TPSA73.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 6485978) is 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4)o3)cc2[nH]1.
What is the InChIKey of 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WYVZTOVOSNMOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18-20-15-8-6-13(10-16(15)21-18)19-11-14-7-9-17(23-14)12-4-2-1-3-5-12/h1-10,19H,11H2,(H2,20,21,22).
What are the key properties of 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenylfuran-2-yl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 6485978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).