3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol

C10H11BrN2O — CID 4162826

IUPAC3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,13)
InChIKeyWFKMGDNIDZUZSG-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.25
Rot. Bonds3

About 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol

3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol (PubChem CID 4162826) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
PubChem CID4162826
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
SMILESOCCCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,13)
InChIKeyWFKMGDNIDZUZSG-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-bromo-1H-benzimidazol-2-yl)pentanoic acid
CID 54920063
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]propan-1-ol
CID 5153534
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
3-[6-[6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propan-1-ol
CID 71241541
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
CID 64723125
6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733
3-[6-[amino(phenyl)methyl]-1H-benzimidazol-2-yl]propan-1-ol
CID 79204636
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol (CID 4162826) is 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol is OCCCc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol?
The InChIKey is WFKMGDNIDZUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-7-3-4-8-9(6-7)13-10(12-8)2-1-5-14/h3-4,6,14H,1-2,5H2,(H,12,13).
What are the key properties of 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol?
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol has a molecular weight of 255.11 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 4162826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).