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

C24H29N3O2 — CID 130330817

IUPAC2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)C(C)C)CC2)n2cncc21
InChIInChI=1S/C24H29N3O2/c1-16(2)24(29)26-11-9-18(10-12-26)22(28)13-20-23(19-7-5-4-6-8-19)17(3)21-14-25-15-27(20)21/h4-8,14-16,18,20H,9-13H2,1-3H3
InChIKeyYOTFFCPOOJKNRE-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.22
Rot. Bonds5

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

2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one (PubChem CID 130330817) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one
PubChem CID130330817
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)C(C)C)CC2)n2cncc21
InChIInChI=1S/C24H29N3O2/c1-16(2)24(29)26-11-9-18(10-12-26)22(28)13-20-23(19-7-5-4-6-8-19)17(3)21-14-25-15-27(20)21/h4-8,14-16,18,20H,9-13H2,1-3H3
InChIKeyYOTFFCPOOJKNRE-UHFFFAOYSA-N
XLogP4.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300406
2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone
CID 130330818
4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide
CID 130300585
methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
CID 130300429
3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one
CID 130330957
[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 130300332
4-hydroxy-5-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 130330932
1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300540
1-[1-[2-(N-ethylanilino)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 135172726
N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 130300468
1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol
CID 130300394
2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol
CID 160556621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one (CID 130330817) is 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one is CC1=C(c2ccccc2)C(CC(=O)C2CCN(C(=O)C(C)C)CC2)n2cncc21.
What is the InChIKey of 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one?
The InChIKey is YOTFFCPOOJKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)24(29)26-11-9-18(10-12-26)22(28)13-20-23(19-7-5-4-6-8-19)17(3)21-14-25-15-27(20)21/h4-8,14-16,18,20H,9-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one has a molecular weight of 391.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 130330817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).