2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol

C10H21N3O — CID 150454579

IUPAC2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol
SMILESCN(C)CCCN1C=CN(CCO)C1
InChIInChI=1S/C10H21N3O/c1-11(2)4-3-5-12-6-7-13(10-12)8-9-14/h6-7,14H,3-5,8-10H2,1-2H3
InChIKeyHOMYCMALIRMGQC-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.02
Rot. Bonds6

About 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol

2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol (PubChem CID 150454579) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol
PubChem CID150454579
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol
SMILESCN(C)CCCN1C=CN(CCO)C1
InChIInChI=1S/C10H21N3O/c1-11(2)4-3-5-12-6-7-13(10-12)8-9-14/h6-7,14H,3-5,8-10H2,1-2H3
InChIKeyHOMYCMALIRMGQC-UHFFFAOYSA-N
XLogP-0.02
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol?
The IUPAC name of 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol (CID 150454579) is 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol is CN(C)CCCN1C=CN(CCO)C1.
What is the InChIKey of 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol?
The InChIKey is HOMYCMALIRMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-11(2)4-3-5-12-6-7-13(10-12)8-9-14/h6-7,14H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol?
2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol has a molecular weight of 199.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(dimethylamino)propyl]-2H-imidazol-1-yl]ethanol is sourced from PubChem (CID 150454579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).