N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide

C18H15N3O2S — CID 71797167

IUPACN-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ncc(-c2cccs2)[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C18H15N3O2S/c22-18(15-10-12-4-1-2-5-14(12)23-15)19-8-7-17-20-11-13(21-17)16-6-3-9-24-16/h1-6,9-11H,7-8H2,(H,19,22)(H,20,21)
InChIKeyFDAIEQLPJUODQI-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 71797167) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID71797167
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ncc(-c2cccs2)[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C18H15N3O2S/c22-18(15-10-12-4-1-2-5-14(12)23-15)19-8-7-17-20-11-13(21-17)16-6-3-9-24-16/h1-6,9-11H,7-8H2,(H,19,22)(H,20,21)
InChIKeyFDAIEQLPJUODQI-UHFFFAOYSA-N
XLogP3.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide 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

N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126810270
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121034526
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide
CID 42581704
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 78985913
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 135912469
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 71797167) is N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1ncc(-c2cccs2)[nH]1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FDAIEQLPJUODQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-18(15-10-12-4-1-2-5-14(12)23-15)19-8-7-17-20-11-13(21-17)16-6-3-9-24-16/h1-6,9-11H,7-8H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71797167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).