N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide

C18H19N3O2 — CID 34906914

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(C)o1
InChIInChI=1S/C18H19N3O2/c1-13-9-17(14(2)23-13)18(22)20-10-15-3-5-16(6-4-15)11-21-8-7-19-12-21/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyXWVRNPUHJBKBRU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.07
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 34906914) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID34906914
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(C)o1
InChIInChI=1S/C18H19N3O2/c1-13-9-17(14(2)23-13)18(22)20-10-15-3-5-16(6-4-15)11-21-8-7-19-12-21/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyXWVRNPUHJBKBRU-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836493
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 35859072

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 34906914) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(C)o1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XWVRNPUHJBKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-9-17(14(2)23-13)18(22)20-10-15-3-5-16(6-4-15)11-21-8-7-19-12-21/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 34906914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).