1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol

C11H15N3O — CID 79107184

IUPAC1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2nccn2C)c1
InChIInChI=1S/C11H15N3O/c1-9(15)10-3-5-14(7-10)8-11-12-4-6-13(11)2/h3-7,9,15H,8H2,1-2H3
InChIKeyNMACTHIGRMPTOK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds3

About 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol

1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol (PubChem CID 79107184) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol
PubChem CID79107184
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2nccn2C)c1
InChIInChI=1S/C11H15N3O/c1-9(15)10-3-5-14(7-10)8-11-12-4-6-13(11)2/h3-7,9,15H,8H2,1-2H3
InChIKeyNMACTHIGRMPTOK-UHFFFAOYSA-N
XLogP1.32
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol
CID 79106442
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099161
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107076
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol (CID 79107184) is 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol is CC(O)c1ccn(Cc2nccn2C)c1.
What is the InChIKey of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol?
The InChIKey is NMACTHIGRMPTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(15)10-3-5-14(7-10)8-11-12-4-6-13(11)2/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol?
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol has a molecular weight of 205.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 79107184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).