5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one

C15H17N3O2 — CID 6473425

IUPAC5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCc3ccco3)ccc21
InChIInChI=1S/C15H17N3O2/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3
InChIKeyIDDDMIDGOAPOKH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.76
Rot. Bonds4

About 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one

5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 6473425) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID6473425
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCc3ccco3)ccc21
InChIInChI=1S/C15H17N3O2/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3
InChIKeyIDDDMIDGOAPOKH-UHFFFAOYSA-N
XLogP1.76
TPSA52.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one (CID 6473425) is 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(CNCc3ccco3)ccc21.
What is the InChIKey of 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is IDDDMIDGOAPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(furan-2-ylmethylamino)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 6473425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).