1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone

C19H23N4O2+ — CID 3914531

IUPAC1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone
SMILES[H]/N=c1\n(CC[NH+]2CCCC2)c2ccccc2n1CC(=O)c1ccco1
InChIInChI=1S/C19H22N4O2/c20-19-22(12-11-21-9-3-4-10-21)15-6-1-2-7-16(15)23(19)14-17(24)18-8-5-13-25-18/h1-2,5-8,13,20H,3-4,9-12,14H2/p+1/b20-19+
InChIKeyRXQJAPIHKGXREH-FMQUCBEESA-O
MW339.42 g/mol
LogP1.08
Rot. Bonds6

About 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone

1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone (PubChem CID 3914531) has the molecular formula C19H23N4O2+ and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone
PubChem CID3914531
Molecular FormulaC19H23N4O2+
Molecular Weight339.42 g/mol
Exact Mass339.18
IUPAC Name1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone
SMILES[H]/N=c1\n(CC[NH+]2CCCC2)c2ccccc2n1CC(=O)c1ccco1
InChIInChI=1S/C19H22N4O2/c20-19-22(12-11-21-9-3-4-10-21)15-6-1-2-7-16(15)23(19)14-17(24)18-8-5-13-25-18/h1-2,5-8,13,20H,3-4,9-12,14H2/p+1/b20-19+
InChIKeyRXQJAPIHKGXREH-FMQUCBEESA-O
XLogP1.08
TPSA68.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 742705
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 648019
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
CID 86579058
(1S)-2-[2-amino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(furan-2-yl)ethanol
CID 6940259
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 44657471
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
CID 118052875
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 9350088
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
N-[3-[3-[2-(4-bromophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N-methylbenzamide
CID 58986166

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone (CID 3914531) is 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone is [H]/N=c1\n(CC[NH+]2CCCC2)c2ccccc2n1CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone?
The InChIKey is RXQJAPIHKGXREH-FMQUCBEESA-O. The full InChI is InChI=1S/C19H22N4O2/c20-19-22(12-11-21-9-3-4-10-21)15-6-1-2-7-16(15)23(19)14-17(24)18-8-5-13-25-18/h1-2,5-8,13,20H,3-4,9-12,14H2/p+1/b20-19+.
What are the key properties of 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone?
1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone has a molecular weight of 339.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 3914531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).