N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide

C21H18N4O — CID 56930905

IUPACN-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)c3c[nH]cc3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H18N4O/c1-14-7-9-16(10-8-14)19-13-23-21(24-19)25-20(26)18-12-22-11-17(18)15-5-3-2-4-6-15/h2-13,22H,1H3,(H2,23,24,25,26)
InChIKeyYMHVEORNOXINOJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.63
Rot. Bonds4

About N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide

N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 56930905) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
PubChem CID56930905
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)c3c[nH]cc3-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H18N4O/c1-14-7-9-16(10-8-14)19-13-23-21(24-19)25-20(26)18-12-22-11-17(18)15-5-3-2-4-6-15/h2-13,22H,1H3,(H2,23,24,25,26)
InChIKeyYMHVEORNOXINOJ-UHFFFAOYSA-N
XLogP4.63
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide (CID 56930905) is N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide is Cc1ccc(-c2cnc(NC(=O)c3c[nH]cc3-c3ccccc3)[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is YMHVEORNOXINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-7-9-16(10-8-14)19-13-23-21(24-19)25-20(26)18-12-22-11-17(18)15-5-3-2-4-6-15/h2-13,22H,1H3,(H2,23,24,25,26).
What are the key properties of N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 56930905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).