N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide

C20H18N4O2 — CID 110223551

IUPACN-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
SMILESCC(NC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1)c1ccco1
InChIInChI=1S/C20H18N4O2/c1-15(19-5-4-12-26-19)22-20(25)16-6-7-17(24-11-8-21-14-24)18(13-16)23-9-2-3-10-23/h2-15H,1H3,(H,22,25)
InChIKeyUXMYOTJFPQCARA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide

N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide (PubChem CID 110223551) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
PubChem CID110223551
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
SMILESCC(NC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1)c1ccco1
InChIInChI=1S/C20H18N4O2/c1-15(19-5-4-12-26-19)22-20(25)16-6-7-17(24-11-8-21-14-24)18(13-16)23-9-2-3-10-23/h2-15H,1H3,(H,22,25)
InChIKeyUXMYOTJFPQCARA-UHFFFAOYSA-N
XLogP3.75
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide
CID 46954834
N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 42102024
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 78869154
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
N-[furan-2-yl(phenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51091279
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
4-imidazol-1-yl-3-nitro-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55877741
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide (CID 110223551) is N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide is CC(NC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
The InChIKey is UXMYOTJFPQCARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-15(19-5-4-12-26-19)22-20(25)16-6-7-17(24-11-8-21-14-24)18(13-16)23-9-2-3-10-23/h2-15H,1H3,(H,22,25).
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide?
N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110223551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).