3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide

C18H22N4O3 — CID 126840644

IUPAC3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCCc3ccco3)cc21
InChIInChI=1S/C18H22N4O3/c1-21(2)9-10-22-16-12-13(5-6-15(16)20-18(22)24)17(23)19-8-7-14-4-3-11-25-14/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyVFPMKLHQIXFNKZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.46
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide

3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 126840644) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID126840644
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCCc3ccco3)cc21
InChIInChI=1S/C18H22N4O3/c1-21(2)9-10-22-16-12-13(5-6-15(16)20-18(22)24)17(23)19-8-7-14-4-3-11-25-14/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyVFPMKLHQIXFNKZ-UHFFFAOYSA-N
XLogP1.46
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide (CID 126840644) is 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide is CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCCc3ccco3)cc21.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is VFPMKLHQIXFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)9-10-22-16-12-13(5-6-15(16)20-18(22)24)17(23)19-8-7-14-4-3-11-25-14/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide?
3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 126840644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).