3-(3-methyl-2H-imidazol-1-yl)propan-1-ol

C7H14N2O — CID 57349221

IUPAC3-(3-methyl-2H-imidazol-1-yl)propan-1-ol
SMILESCN1C=CN(CCCO)C1
InChIInChI=1S/C7H14N2O/c1-8-4-5-9(7-8)3-2-6-10/h4-5,10H,2-3,6-7H2,1H3
InChIKeyPYQNWBMUGSULAV-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.04
Rot. Bonds3

About 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol

3-(3-methyl-2H-imidazol-1-yl)propan-1-ol (PubChem CID 57349221) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-2H-imidazol-1-yl)propan-1-ol
PubChem CID57349221
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(3-methyl-2H-imidazol-1-yl)propan-1-ol
SMILESCN1C=CN(CCCO)C1
InChIInChI=1S/C7H14N2O/c1-8-4-5-9(7-8)3-2-6-10/h4-5,10H,2-3,6-7H2,1H3
InChIKeyPYQNWBMUGSULAV-UHFFFAOYSA-N
XLogP0.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol (CID 57349221) is 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol is CN1C=CN(CCCO)C1.
What is the InChIKey of 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol?
The InChIKey is PYQNWBMUGSULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8-4-5-9(7-8)3-2-6-10/h4-5,10H,2-3,6-7H2,1H3.
What are the key properties of 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol?
3-(3-methyl-2H-imidazol-1-yl)propan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2H-imidazol-1-yl)propan-1-ol is sourced from PubChem (CID 57349221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).