2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide

C15H13N5O2 — CID 167859788

IUPAC2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide
SMILESNC(=O)c1c[nH]c(C(=O)Nc2ccccc2-c2ncc[nH]2)c1
InChIInChI=1S/C15H13N5O2/c16-13(21)9-7-12(19-8-9)15(22)20-11-4-2-1-3-10(11)14-17-5-6-18-14/h1-8,19H,(H2,16,21)(H,17,18)(H,20,22)
InChIKeySCGQZJJANGFZSE-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.76
Rot. Bonds4

About 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide

2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide (PubChem CID 167859788) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide
PubChem CID167859788
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide
SMILESNC(=O)c1c[nH]c(C(=O)Nc2ccccc2-c2ncc[nH]2)c1
InChIInChI=1S/C15H13N5O2/c16-13(21)9-7-12(19-8-9)15(22)20-11-4-2-1-3-10(11)14-17-5-6-18-14/h1-8,19H,(H2,16,21)(H,17,18)(H,20,22)
InChIKeySCGQZJJANGFZSE-UHFFFAOYSA-N
XLogP1.76
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
CID 166225226
2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 167790330
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
2-(2,6-dioxopiperidin-3-yl)-N-[2-(1H-imidazol-2-yl)phenyl]-3-oxo-1H-isoindole-5-carboxamide
CID 167821897
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 174554769
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 43642698
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
CID 122514275

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide (CID 167859788) is 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide is NC(=O)c1c[nH]c(C(=O)Nc2ccccc2-c2ncc[nH]2)c1.
What is the InChIKey of 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is SCGQZJJANGFZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c16-13(21)9-7-12(19-8-9)15(22)20-11-4-2-1-3-10(11)14-17-5-6-18-14/h1-8,19H,(H2,16,21)(H,17,18)(H,20,22).
What are the key properties of 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide?
2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 167859788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).