2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

C13H19N3O — CID 79096935

IUPAC2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2cncn2C)c1
InChIInChI=1S/C13H19N3O/c1-10(2)13(17)11-4-5-16(7-11)8-12-6-14-9-15(12)3/h4-7,9-10,13,17H,8H2,1-3H3
InChIKeyAWSMXKCMMZBVAD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79096935) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79096935
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2cncn2C)c1
InChIInChI=1S/C13H19N3O/c1-10(2)13(17)11-4-5-16(7-11)8-12-6-14-9-15(12)3/h4-7,9-10,13,17H,8H2,1-3H3
InChIKeyAWSMXKCMMZBVAD-UHFFFAOYSA-N
XLogP1.96
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-imidazol-5-yl)(2-(trifluoromethyl)pyridin-4-yl)methanol
CID 86715639
[2-(Fluoromethyl)-4-pyridinyl]-(3-methylimidazol-4-yl)methanol
CID 118013536
(2,3-Dimethylimidazol-4-yl)-[2-(fluoromethyl)-4-pyridinyl]methanol
CID 118031626
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097687
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol
CID 79102211
Cyclopropyl-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]methanol
CID 79103288
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]propan-1-ol
CID 79105292
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]butan-1-ol
CID 79110005
2,2,2-Trifluoro-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]ethanol
CID 81603538
1-[1-[(5-Chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81603545
2,2,2-Trifluoro-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]ethanol
CID 81603659
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81603664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79096935) is 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(Cc2cncn2C)c1.
What is the InChIKey of 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is AWSMXKCMMZBVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(2)13(17)11-4-5-16(7-11)8-12-6-14-9-15(12)3/h4-7,9-10,13,17H,8H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79096935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).