2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone

C26H26N4O2 — CID 130330818

IUPAC2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)c3ccncc3)CC2)n2cncc21
InChIInChI=1S/C26H26N4O2/c1-18-23-16-28-17-30(23)22(25(18)20-5-3-2-4-6-20)15-24(31)19-9-13-29(14-10-19)26(32)21-7-11-27-12-8-21/h2-8,11-12,16-17,19,22H,9-10,13-15H2,1H3
InChIKeyMDFDLKGEMWIZPB-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.28
Rot. Bonds5

About 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone

2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone (PubChem CID 130330818) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone
PubChem CID130330818
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)c3ccncc3)CC2)n2cncc21
InChIInChI=1S/C26H26N4O2/c1-18-23-16-28-17-30(23)22(25(18)20-5-3-2-4-6-20)15-24(31)19-9-13-29(14-10-19)26(32)21-7-11-27-12-8-21/h2-8,11-12,16-17,19,22H,9-10,13-15H2,1H3
InChIKeyMDFDLKGEMWIZPB-UHFFFAOYSA-N
XLogP4.28
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone (CID 130330818) is 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone is CC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)c3ccncc3)CC2)n2cncc21.
What is the InChIKey of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone?
The InChIKey is MDFDLKGEMWIZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-23-16-28-17-30(23)22(25(18)20-5-3-2-4-6-20)15-24(31)19-9-13-29(14-10-19)26(32)21-7-11-27-12-8-21/h2-8,11-12,16-17,19,22H,9-10,13-15H2,1H3.
What are the key properties of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone?
2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone has a molecular weight of 426.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 130330818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).