2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone

C15H15N3O2 — CID 648019

IUPAC2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1ccco1
InChIInChI=1S/C15H15N3O2/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,16H,2,10H2,1H3/b16-15+
InChIKeyPKJBZVLOKHRYHK-FOCLMDBBSA-N
MW269.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone (PubChem CID 648019) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
PubChem CID648019
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1ccco1
InChIInChI=1S/C15H15N3O2/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,16H,2,10H2,1H3/b16-15+
InChIKeyPKJBZVLOKHRYHK-FOCLMDBBSA-N
XLogP2.42
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone (CID 648019) is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone is [H]/N=c1\n(CC)c2ccccc2n1CC(=O)c1ccco1.
What is the InChIKey of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
The InChIKey is PKJBZVLOKHRYHK-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-17-11-6-3-4-7-12(11)18(15(17)16)10-13(19)14-8-5-9-20-14/h3-9,16H,2,10H2,1H3/b16-15+.
What are the key properties of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone?
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 648019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).