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

C28H22ClN3O2 — CID 130300300

IUPACN-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide
SMILESCC1=C(c2ccccc2)C(CC(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n2cncc21
InChIInChI=1S/C28H22ClN3O2/c1-18-25-16-30-17-32(25)24(27(18)20-5-3-2-4-6-20)15-26(33)19-7-9-21(10-8-19)28(34)31-23-13-11-22(29)12-14-23/h2-14,16-17,24H,15H2,1H3,(H,31,34)
InChIKeyJGAANSDVTVVQEB-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.55
Rot. Bonds6

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

N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide (PubChem CID 130300300) has the molecular formula C28H22ClN3O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide
PubChem CID130300300
Molecular FormulaC28H22ClN3O2
Molecular Weight467.96 g/mol
Exact Mass467.14
IUPAC NameN-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide
SMILESCC1=C(c2ccccc2)C(CC(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n2cncc21
InChIInChI=1S/C28H22ClN3O2/c1-18-25-16-30-17-32(25)24(27(18)20-5-3-2-4-6-20)15-26(33)19-7-9-21(10-8-19)28(34)31-23-13-11-22(29)12-14-23/h2-14,16-17,24H,15H2,1H3,(H,31,34)
InChIKeyJGAANSDVTVVQEB-UHFFFAOYSA-N
XLogP6.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide (CID 130300300) is N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide is CC1=C(c2ccccc2)C(CC(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n2cncc21.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide?
The InChIKey is JGAANSDVTVVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O2/c1-18-25-16-30-17-32(25)24(27(18)20-5-3-2-4-6-20)15-26(33)19-7-9-21(10-8-19)28(34)31-23-13-11-22(29)12-14-23/h2-14,16-17,24H,15H2,1H3,(H,31,34).
What are the key properties of N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide?
N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide has a molecular weight of 467.96 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide is sourced from PubChem (CID 130300300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).