N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

C17H18N4O — CID 166215842

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc[nH]c3C)cc2)c1C
InChIInChI=1S/C17H18N4O/c1-11-13(3)21(10-19-11)15-6-4-14(5-7-15)20-17(22)16-8-9-18-12(16)2/h4-10,18H,1-3H3,(H,20,22)
InChIKeyHCNPUHHDWWCSTF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.38
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 166215842) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID166215842
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc[nH]c3C)cc2)c1C
InChIInChI=1S/C17H18N4O/c1-11-13(3)21(10-19-11)15-6-4-14(5-7-15)20-17(22)16-8-9-18-12(16)2/h4-10,18H,1-3H3,(H,20,22)
InChIKeyHCNPUHHDWWCSTF-UHFFFAOYSA-N
XLogP3.38
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 166327105
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
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]furan-2-carboxamide
CID 166215878
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
CID 166327066
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide
CID 166215814
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 166215842) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3cc[nH]c3C)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is HCNPUHHDWWCSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-13(3)21(10-19-11)15-6-4-14(5-7-15)20-17(22)16-8-9-18-12(16)2/h4-10,18H,1-3H3,(H,20,22).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 166215842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).