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

C18H19N3O4 — CID 120821937

IUPAC2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)c2nc3ccccc3n2C)cc1C(=O)O
InChIInChI=1S/C18H19N3O4/c1-4-14-11(18(23)24)9-15(25-14)17(22)19-10(2)16-20-12-7-5-6-8-13(12)21(16)3/h5-10H,4H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyLLVTVXMKMUVSFS-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.92
Rot. Bonds5

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

2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821937) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821937
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)c2nc3ccccc3n2C)cc1C(=O)O
InChIInChI=1S/C18H19N3O4/c1-4-14-11(18(23)24)9-15(25-14)17(22)19-10(2)16-20-12-7-5-6-8-13(12)21(16)3/h5-10H,4H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyLLVTVXMKMUVSFS-UHFFFAOYSA-N
XLogP2.92
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 120821937) is 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC(C)c2nc3ccccc3n2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is LLVTVXMKMUVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-14-11(18(23)24)9-15(25-14)17(22)19-10(2)16-20-12-7-5-6-8-13(12)21(16)3/h5-10H,4H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).