1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol

C8H13Cl2N3O — CID 115684226

IUPAC1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C8H13Cl2N3O/c1-5(14)3-11-4-6-7(9)12-8(10)13(6)2/h5,11,14H,3-4H2,1-2H3
InChIKeyAHUFBDVMHLEGFF-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.20
Rot. Bonds4

About 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol

1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol (PubChem CID 115684226) has the molecular formula C8H13Cl2N3O and a molecular weight of 238.12 g/mol. Its IUPAC name is 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol
PubChem CID115684226
Molecular FormulaC8H13Cl2N3O
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1c(Cl)nc(Cl)n1C
InChIInChI=1S/C8H13Cl2N3O/c1-5(14)3-11-4-6-7(9)12-8(10)13(6)2/h5,11,14H,3-4H2,1-2H3
InChIKeyAHUFBDVMHLEGFF-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115733062
1-[(4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-ol
CID 91062826
2-[(4-chloro-1H-imidazol-5-yl)methylamino]ethanol
CID 91419908
2-[(5-Chloro-1-methylimidazol-4-yl)methylamino]ethanol
CID 176336184
1-(4,5-Dimethylimidazol-1-yl)-3-(propylamino)propan-2-ol
CID 62351982
1-(4,5-Dimethylimidazol-1-yl)-3-(methylamino)propan-2-ol
CID 62351984
1-(4,5-Dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol
CID 62352158
1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propan-2-ol
CID 65539502
2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]ethanol
CID 65541160
(2R)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 103740967
(2S)-2-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 103773900
(3R)-3-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 103854789

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol (CID 115684226) is 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol is CC(O)CNCc1c(Cl)nc(Cl)n1C.
What is the InChIKey of 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol?
The InChIKey is AHUFBDVMHLEGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2N3O/c1-5(14)3-11-4-6-7(9)12-8(10)13(6)2/h5,11,14H,3-4H2,1-2H3.
What are the key properties of 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol?
1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol has a molecular weight of 238.12 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichloro-3-methylimidazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115684226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).