3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol

C15H20BrN3O — CID 111449262

IUPAC3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C15H20BrN3O/c1-2-13(7-8-20)17-10-15-18-9-14(19-15)11-3-5-12(16)6-4-11/h3-6,9,13,17,20H,2,7-8,10H2,1H3,(H,18,19)
InChIKeyKXBXGCHZQCGHFH-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.09
Rot. Bonds7

About 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol

3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol (PubChem CID 111449262) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
PubChem CID111449262
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C15H20BrN3O/c1-2-13(7-8-20)17-10-15-18-9-14(19-15)11-3-5-12(16)6-4-11/h3-6,9,13,17,20H,2,7-8,10H2,1H3,(H,18,19)
InChIKeyKXBXGCHZQCGHFH-UHFFFAOYSA-N
XLogP3.09
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
CID 111421674
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877297
3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
CID 111449155
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 82970925
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol?
The IUPAC name of 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol (CID 111449262) is 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol?
The canonical SMILES for 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol is CCC(CCO)NCc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol?
The InChIKey is KXBXGCHZQCGHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-2-13(7-8-20)17-10-15-18-9-14(19-15)11-3-5-12(16)6-4-11/h3-6,9,13,17,20H,2,7-8,10H2,1H3,(H,18,19).
What are the key properties of 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol?
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol has a molecular weight of 338.25 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 111449262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).