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

C15H17N3O2 — CID 79096507

IUPAC5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccc(C(NC)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C15H17N3O2/c1-3-10-5-7-13(20-10)14(16-2)9-4-6-11-12(8-9)18-15(19)17-11/h4-8,14,16H,3H2,1-2H3,(H2,17,18,19)
InChIKeyIMZONEYQOGTDER-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds4

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

5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 79096507) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID79096507
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1ccc(C(NC)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C15H17N3O2/c1-3-10-5-7-13(20-10)14(16-2)9-4-6-11-12(8-9)18-15(19)17-11/h4-8,14,16H,3H2,1-2H3,(H2,17,18,19)
InChIKeyIMZONEYQOGTDER-UHFFFAOYSA-N
XLogP2.32
TPSA73.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496013
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
1-(2,3-dihydro-1H-inden-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346567
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 107960959
5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 116964358
5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81479731

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 79096507) is 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CCc1ccc(C(NC)c2ccc3[nH]c(=O)[nH]c3c2)o1.
What is the InChIKey of 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IMZONEYQOGTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-10-5-7-13(20-10)14(16-2)9-4-6-11-12(8-9)18-15(19)17-11/h4-8,14,16H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 79096507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).