3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one

C30H32N2O2 — CID 130330957

IUPAC3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCC(CCC(=O)c3ccccc3)CC2)n2cncc21
InChIInChI=1S/C30H32N2O2/c1-21-27-19-31-20-32(27)26(30(21)25-10-6-3-7-11-25)18-29(34)24-15-12-22(13-16-24)14-17-28(33)23-8-4-2-5-9-23/h2-11,19-20,22,24,26H,12-18H2,1H3
InChIKeyVVAWTDSICSTPHE-UHFFFAOYSA-N
MW452.60 g/mol
LogP6.80
Rot. Bonds8

About 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one

3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one (PubChem CID 130330957) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one
PubChem CID130330957
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCC(CCC(=O)c3ccccc3)CC2)n2cncc21
InChIInChI=1S/C30H32N2O2/c1-21-27-19-31-20-32(27)26(30(21)25-10-6-3-7-11-25)18-29(34)24-15-12-22(13-16-24)14-17-28(33)23-8-4-2-5-9-23/h2-11,19-20,22,24,26H,12-18H2,1H3
InChIKeyVVAWTDSICSTPHE-UHFFFAOYSA-N
XLogP6.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one?
The IUPAC name of 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one (CID 130330957) is 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one is CC1=C(c2ccccc2)C(CC(=O)C2CCC(CCC(=O)c3ccccc3)CC2)n2cncc21.
What is the InChIKey of 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one?
The InChIKey is VVAWTDSICSTPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c1-21-27-19-31-20-32(27)26(30(21)25-10-6-3-7-11-25)18-29(34)24-15-12-22(13-16-24)14-17-28(33)23-8-4-2-5-9-23/h2-11,19-20,22,24,26H,12-18H2,1H3.
What are the key properties of 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one?
3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one has a molecular weight of 452.60 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one is sourced from PubChem (CID 130330957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).