[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone

C27H29N3O2 — CID 130300332

IUPAC[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
SMILESCC1=C(c2ccccc2)C(CC(O)C2CCN(C(=O)c3ccccc3)CC2)n2cncc21
InChIInChI=1S/C27H29N3O2/c1-19-24-17-28-18-30(24)23(26(19)21-8-4-2-5-9-21)16-25(31)20-12-14-29(15-13-20)27(32)22-10-6-3-7-11-22/h2-11,17-18,20,23,25,31H,12-16H2,1H3
InChIKeyAJSXKLLHMGVTFL-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.67
Rot. Bonds5

About [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone

[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone (PubChem CID 130300332) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
PubChem CID130300332
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone
SMILESCC1=C(c2ccccc2)C(CC(O)C2CCN(C(=O)c3ccccc3)CC2)n2cncc21
InChIInChI=1S/C27H29N3O2/c1-19-24-17-28-18-30(24)23(26(19)21-8-4-2-5-9-21)16-25(31)20-12-14-29(15-13-20)27(32)22-10-6-3-7-11-22/h2-11,17-18,20,23,25,31H,12-16H2,1H3
InChIKeyAJSXKLLHMGVTFL-UHFFFAOYSA-N
XLogP4.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(3-methylsulfonylpropyl)piperidin-4-yl]ethanol
CID 160556621
2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethanone
CID 130330818
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
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
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
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300406
(1R)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanol
CID 130330951
1-(1-adamantyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanol
CID 130300394
4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]-N-phenylpiperidine-1-carboxamide
CID 130300585
2-[4-[(1S)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]-1-phenylethanone
CID 66558807
3-[4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexyl]-1-phenylpropan-1-one
CID 130330957

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone (CID 130300332) is [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone is CC1=C(c2ccccc2)C(CC(O)C2CCN(C(=O)c3ccccc3)CC2)n2cncc21.
What is the InChIKey of [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is AJSXKLLHMGVTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19-24-17-28-18-30(24)23(26(19)21-8-4-2-5-9-21)16-25(31)20-12-14-29(15-13-20)27(32)22-10-6-3-7-11-22/h2-11,17-18,20,23,25,31H,12-16H2,1H3.
What are the key properties of [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone?
[4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 427.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 130300332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).