N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide

C18H20N4O — CID 166327019

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc(C)n(C)c3)cc2)c1C
InChIInChI=1S/C18H20N4O/c1-12-9-15(10-21(12)4)18(23)20-16-5-7-17(8-6-16)22-11-19-13(2)14(22)3/h5-11H,1-4H3,(H,20,23)
InChIKeyJAYBGXVCEJVSND-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.39
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide (PubChem CID 166327019) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
PubChem CID166327019
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc(C)n(C)c3)cc2)c1C
InChIInChI=1S/C18H20N4O/c1-12-9-15(10-21(12)4)18(23)20-16-5-7-17(8-6-16)22-11-19-13(2)14(22)3/h5-11H,1-4H3,(H,20,23)
InChIKeyJAYBGXVCEJVSND-UHFFFAOYSA-N
XLogP3.39
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 166285375
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 166215842
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 166327015
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,5-dimethylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166215437
5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 166215609

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide (CID 166327019) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3cc(C)n(C)c3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JAYBGXVCEJVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-9-15(10-21(12)4)18(23)20-16-5-7-17(8-6-16)22-11-19-13(2)14(22)3/h5-11H,1-4H3,(H,20,23).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 166327019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).