2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid

C18H18FN3O4 — CID 120821778

IUPAC2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCc2nc3c(F)cccc3n2C)cc1C(=O)O
InChIInChI=1S/C18H18FN3O4/c1-3-13-10(18(24)25)9-14(26-13)17(23)20-8-7-15-21-16-11(19)5-4-6-12(16)22(15)2/h4-6,9H,3,7-8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyBJGRUMVUSPDBPM-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.54
Rot. Bonds6

About 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821778) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821778
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCc2nc3c(F)cccc3n2C)cc1C(=O)O
InChIInChI=1S/C18H18FN3O4/c1-3-13-10(18(24)25)9-14(26-13)17(23)20-8-7-15-21-16-11(19)5-4-6-12(16)22(15)2/h4-6,9H,3,7-8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyBJGRUMVUSPDBPM-UHFFFAOYSA-N
XLogP2.54
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid 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-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 120820708
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
4-[3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119184720
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822185
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
5-[3-(4-bromo-2-fluorophenyl)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821911
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120821937
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 95621264
(E)-3-(2,4-dimethylphenyl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 86935842
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 120821778) is 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCCc2nc3c(F)cccc3n2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is BJGRUMVUSPDBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-3-13-10(18(24)25)9-14(26-13)17(23)20-8-7-15-21-16-11(19)5-4-6-12(16)22(15)2/h4-6,9H,3,7-8H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).