N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide

C20H25N3O2 — CID 23723308

IUPACN,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)CCn3ccnc3C)c(C)c2c1
InChIInChI=1S/C20H25N3O2/c1-5-6-16-7-8-18-17(13-16)14(2)19(25-18)20(24)22(4)11-12-23-10-9-21-15(23)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyVYHOPZJEMRFQNE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.97
Rot. Bonds6

About N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide

N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide (PubChem CID 23723308) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
PubChem CID23723308
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(C)CCn3ccnc3C)c(C)c2c1
InChIInChI=1S/C20H25N3O2/c1-5-6-16-7-8-18-17(13-16)14(2)19(25-18)20(24)22(4)11-12-23-10-9-21-15(23)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyVYHOPZJEMRFQNE-UHFFFAOYSA-N
XLogP3.97
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
1-[(6-methoxybenzofuran-2-yl)-(4-methoxyphenyl)methyl]-1H-imidazole
CID 10404636
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
7-fluoro-N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 23723707
2-Imidazol-1-ylmethyl-3-methyl-benzofuran-5-carboxylic acid
CID 13663090
3-Bromo-2-imidazol-1-ylmethyl-benzofuran-5-carboxylic acid
CID 13663092
1-(3-(1H-imidazol-1-yl)propyl)-4-(furan-2-carbonyl)-3-hydroxy-5-(4-propoxyphenyl)-1H-pyrrol-2(5H)-one
CID 662131
1-(3-(1H-imidazol-1-yl)propyl)-3-hydroxy-5-(4-isopropoxyphenyl)-4-(5-methylfuran-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 663879
(4E)-5-(4-ethoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]pyrrolidine-2,3-dione
CID 2918378
3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(5-methyl-2-furoyl)-5-(4-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2950328

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide (CID 23723308) is N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)N(C)CCn3ccnc3C)c(C)c2c1.
What is the InChIKey of N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
The InChIKey is VYHOPZJEMRFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-6-16-7-8-18-17(13-16)14(2)19(25-18)20(24)22(4)11-12-23-10-9-21-15(23)3/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).