2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol

C7H12ClN3O — CID 23064464

IUPAC2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol
SMILESCN(C)c1ncn(CCO)c1Cl
InChIInChI=1S/C7H12ClN3O/c1-10(2)7-6(8)11(3-4-12)5-9-7/h5,12H,3-4H2,1-2H3
InChIKeyKPDVBCYFJFUINI-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.59
Rot. Bonds3

About 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol

2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol (PubChem CID 23064464) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol
PubChem CID23064464
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol
SMILESCN(C)c1ncn(CCO)c1Cl
InChIInChI=1S/C7H12ClN3O/c1-10(2)7-6(8)11(3-4-12)5-9-7/h5,12H,3-4H2,1-2H3
InChIKeyKPDVBCYFJFUINI-UHFFFAOYSA-N
XLogP0.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol?
The IUPAC name of 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol (CID 23064464) is 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol is CN(C)c1ncn(CCO)c1Cl.
What is the InChIKey of 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol?
The InChIKey is KPDVBCYFJFUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-10(2)7-6(8)11(3-4-12)5-9-7/h5,12H,3-4H2,1-2H3.
What are the key properties of 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol?
2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol has a molecular weight of 189.65 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(dimethylamino)imidazol-1-yl]ethanol is sourced from PubChem (CID 23064464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).