2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol

C14H18BrN3O — CID 71969662

IUPAC2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol
SMILESCCC(O)(CNCc1ncc[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-2-14(19,11-3-5-12(15)6-4-11)10-16-9-13-17-7-8-18-13/h3-8,16,19H,2,9-10H2,1H3,(H,17,18)
InChIKeyLYNRIJRJFMRILX-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol

2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol (PubChem CID 71969662) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol
PubChem CID71969662
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol
SMILESCCC(O)(CNCc1ncc[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-2-14(19,11-3-5-12(15)6-4-11)10-16-9-13-17-7-8-18-13/h3-8,16,19H,2,9-10H2,1H3,(H,17,18)
InChIKeyLYNRIJRJFMRILX-UHFFFAOYSA-N
XLogP2.56
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol (CID 71969662) is 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol is CCC(O)(CNCc1ncc[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol?
The InChIKey is LYNRIJRJFMRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-2-14(19,11-3-5-12(15)6-4-11)10-16-9-13-17-7-8-18-13/h3-8,16,19H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol?
2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol has a molecular weight of 324.22 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 71969662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).