5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide

C18H19N3O2 — CID 56784420

IUPAC5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cn3ccnc3C)cc2)o1
InChIInChI=1S/C18H19N3O2/c1-3-16-8-9-17(23-16)18(22)20-15-6-4-14(5-7-15)12-21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyCNIWRKKKDVJCJR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.65
Rot. Bonds5

About 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide

5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 56784420) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
PubChem CID56784420
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Cn3ccnc3C)cc2)o1
InChIInChI=1S/C18H19N3O2/c1-3-16-8-9-17(23-16)18(22)20-15-6-4-14(5-7-15)12-21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyCNIWRKKKDVJCJR-UHFFFAOYSA-N
XLogP3.65
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
N-[3-(1H-imidazol-1-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3146651
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 6996550
7-fluoro-N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 23723707
N-(2,4-dimethylphenyl)-2-({1-[(furan-2-yl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
CID 24891927
N-[(Z)-2-Furan-2-yl-1-(3-imidazol-1-yl-propylcarbamoyl)-vinyl]-4-methoxy-benzamide
CID 12005525
N-[4-[(4-methylpyridin-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 1262407
N-(4-(1H-imidazol-1-yl)-2-(piperidin-1-yl)phenyl)-5-cyanofuran-2-carboxamide
CID 11574080
Furan-2-carboxylic acid [4-methyl-5-(3-phenyl-propionylamino)-pyridin-2-yl]-amide
CID 645020
Furan-2-carboxylic acid (6-benzoylamino-4-methyl-pyridin-3-yl)-amide
CID 645254
Furan-2-carboxylic acid [6-(3-fluoro-benzoylamino)-4-methyl-pyridin-3-yl]-amide
CID 649319
Furan-2-carboxylic acid (4-methyl-5-phenylacetylamino-pyridin-2-yl)-amide
CID 649833

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide (CID 56784420) is 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(Cn3ccnc3C)cc2)o1.
What is the InChIKey of 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
The InChIKey is CNIWRKKKDVJCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-16-8-9-17(23-16)18(22)20-15-6-4-14(5-7-15)12-21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide?
5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56784420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).