3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide

C23H21N3O2 — CID 70746811

IUPAC3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Cn2ccnc2-c2ccccc2-c2ccco2)c1
InChIInChI=1S/C23H21N3O2/c1-25(2)23(27)18-8-5-7-17(15-18)16-26-13-12-24-22(26)20-10-4-3-9-19(20)21-11-6-14-28-21/h3-15H,16H2,1-2H3
InChIKeyIDZWCTYNVHDLDC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.56
Rot. Bonds5

About 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide

3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 70746811) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID70746811
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Cn2ccnc2-c2ccccc2-c2ccco2)c1
InChIInChI=1S/C23H21N3O2/c1-25(2)23(27)18-8-5-7-17(15-18)16-26-13-12-24-22(26)20-10-4-3-9-19(20)21-11-6-14-28-21/h3-15H,16H2,1-2H3
InChIKeyIDZWCTYNVHDLDC-UHFFFAOYSA-N
XLogP4.56
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]imidazole
CID 56918946
1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
CID 70750809
3-[2-[[N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669693
3-[[2-[3-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]methyl]benzoic acid
CID 70758433
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol
CID 155913572
3-[[2-(4-nitrophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560637
2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
CID 82562245
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 24712897
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
3-[[2-(2-ethylsulfanylpyrimidin-5-yl)imidazol-1-yl]methyl]benzoic acid
CID 70708154
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
CID 42819878

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide (CID 70746811) is 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Cn2ccnc2-c2ccccc2-c2ccco2)c1.
What is the InChIKey of 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is IDZWCTYNVHDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-25(2)23(27)18-8-5-7-17(15-18)16-26-13-12-24-22(26)20-10-4-3-9-19(20)21-11-6-14-28-21/h3-15H,16H2,1-2H3.
What are the key properties of 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 371.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 70746811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).