4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide

C27H28N4O2 — CID 130300585

IUPAC4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)n2cncc21
InChIInChI=1S/C27H28N4O2/c1-19-24-17-28-18-31(24)23(26(19)21-8-4-2-5-9-21)16-25(32)20-12-14-30(15-13-20)27(33)29-22-10-6-3-7-11-22/h2-11,17-18,20,23H,12-16H2,1H3,(H,29,33)
InChIKeyGNUSFWVKPOPJIC-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.27
Rot. Bonds5

About 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide

4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 130300585) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide
PubChem CID130300585
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)n2cncc21
InChIInChI=1S/C27H28N4O2/c1-19-24-17-28-18-31(24)23(26(19)21-8-4-2-5-9-21)16-25(32)20-12-14-30(15-13-20)27(33)29-22-10-6-3-7-11-22/h2-11,17-18,20,23H,12-16H2,1H3,(H,29,33)
InChIKeyGNUSFWVKPOPJIC-UHFFFAOYSA-N
XLogP5.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide (CID 130300585) is 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide is CC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)n2cncc21.
What is the InChIKey of 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is GNUSFWVKPOPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-24-17-28-18-31(24)23(26(19)21-8-4-2-5-9-21)16-25(32)20-12-14-30(15-13-20)27(33)29-22-10-6-3-7-11-22/h2-11,17-18,20,23H,12-16H2,1H3,(H,29,33).
What are the key properties of 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide?
4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 130300585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).