4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride

C13H16BrClN2O — CID 25143493

IUPAC4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride
SMILESCl.OC(CCc1ccc(Br)cc1)Cn1ccnc1
InChIInChI=1S/C13H15BrN2O.ClH/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16;/h1-2,4-5,7-8,10,13,17H,3,6,9H2;1H
InChIKeyKOWXYHJKXZFKST-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.06
Rot. Bonds5

About 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride

4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride (PubChem CID 25143493) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride
PubChem CID25143493
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride
SMILESCl.OC(CCc1ccc(Br)cc1)Cn1ccnc1
InChIInChI=1S/C13H15BrN2O.ClH/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16;/h1-2,4-5,7-8,10,13,17H,3,6,9H2;1H
InChIKeyKOWXYHJKXZFKST-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-(4-Bromophenyl)propyl)imidazole
CID 12870397
OB 24 hydrochloride
CID 45265865
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
1-(2-Hydroxy-4-phenylbutyl)imidazole
CID 13457355
1-Imidazol-1-yl-4-phenylbutan-2-ol;hydrochloride
CID 25143490
1-(1H-imidazol-1-yl)-4-(4-iodophenyl)butan-2-ol hydrochloride
CID 16739247
1-(1H-imidazol-1-yl)-4-(4-iodophenyl)-2-butanol hydrochloride
CID 16739248
4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride
CID 20282236
1-(3-bromophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
CID 53525629
Heme Oxygenase-1-IN-1
CID 57775660
1-[4-(4-Bromophenyl)phenyl]-2-imidazol-1-ylethanol
CID 58580498
1-(4-bromophenethyl)-1H-imidazole
CID 19371551

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride (CID 25143493) is 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride is Cl.OC(CCc1ccc(Br)cc1)Cn1ccnc1.
What is the InChIKey of 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride?
The InChIKey is KOWXYHJKXZFKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O.ClH/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16;/h1-2,4-5,7-8,10,13,17H,3,6,9H2;1H.
What are the key properties of 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride?
4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride has a molecular weight of 331.64 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride is sourced from PubChem (CID 25143493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).