1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone

C11H13N3O — CID 79107454

IUPAC1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CCn2ccnc2)c1
InChIInChI=1S/C11H13N3O/c1-10(15)11-2-4-13(8-11)6-7-14-5-3-12-9-14/h2-5,8-9H,6-7H2,1H3
InChIKeyIOPODEJINZHGKT-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.59
Rot. Bonds4

About 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone

1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone (PubChem CID 79107454) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone
PubChem CID79107454
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccn(CCn2ccnc2)c1
InChIInChI=1S/C11H13N3O/c1-10(15)11-2-4-13(8-11)6-7-14-5-3-12-9-14/h2-5,8-9H,6-7H2,1H3
InChIKeyIOPODEJINZHGKT-UHFFFAOYSA-N
XLogP1.59
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
CID 79106828
1-(1-propylpyrrol-3-yl)ethanone
CID 15439782
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
1-[1-(3-methylbutyl)pyrrol-3-yl]ethanone
CID 79106201
1-(1-prop-2-enylpyrrol-3-yl)ethanone
CID 79002419
1-(1-aminopyrrol-3-yl)ethanone
CID 140996254
1-[4-(3-imidazol-1-ylprop-1-ynyl)phenyl]ethanone
CID 122242368
benzoic acid;1-propylimidazole
CID 173073057
2-imidazol-1-ylethanol
CID 159023310
N-ethyl-1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097991
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
1-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanone
CID 79106081

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone (CID 79107454) is 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone is CC(=O)c1ccn(CCn2ccnc2)c1.
What is the InChIKey of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone?
The InChIKey is IOPODEJINZHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-10(15)11-2-4-13(8-11)6-7-14-5-3-12-9-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone?
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone has a molecular weight of 203.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 79107454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).