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

C14H15N3O2 — CID 43483508

IUPAC5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)o1
InChIInChI=1S/C14H15N3O2/c1-8-3-6-12(19-8)13(15-2)9-4-5-10-11(7-9)17-14(18)16-10/h3-7,13,15H,1-2H3,(H2,16,17,18)
InChIKeyDLTXMAHPSPUPMD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.07
Rot. Bonds3

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

5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483508) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483508
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)o1
InChIInChI=1S/C14H15N3O2/c1-8-3-6-12(19-8)13(15-2)9-4-5-10-11(7-9)17-14(18)16-10/h3-7,13,15H,1-2H3,(H2,16,17,18)
InChIKeyDLTXMAHPSPUPMD-UHFFFAOYSA-N
XLogP2.07
TPSA73.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43483508) is 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)o1.
What is the InChIKey of 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DLTXMAHPSPUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-6-12(19-8)13(15-2)9-4-5-10-11(7-9)17-14(18)16-10/h3-7,13,15H,1-2H3,(H2,16,17,18).
What are the key properties of 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).