(4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol

C14H11BrN2O2 — CID 135358048

IUPAC(4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol
SMILESOCc1nc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C14H11BrN2O2/c15-11-6-10(19-9-4-2-1-3-5-9)7-12-14(11)17-13(8-18)16-12/h1-7,18H,8H2,(H,16,17)
InChIKeyIGBGJIRRRPPLEC-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.61
Rot. Bonds3

About (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol

(4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol (PubChem CID 135358048) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol
PubChem CID135358048
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name(4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol
SMILESOCc1nc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C14H11BrN2O2/c15-11-6-10(19-9-4-2-1-3-5-9)7-12-14(11)17-13(8-18)16-12/h1-7,18H,8H2,(H,16,17)
InChIKeyIGBGJIRRRPPLEC-UHFFFAOYSA-N
XLogP3.61
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-6-phenoxy-1H-indol-2-yl)methanol
CID 135358038
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2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
5-phenoxybenzene-1,2,3-triol
CID 14020516
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
CID 163399793
ethane-1,2-diol;methanol;phenoxybenzene
CID 174609290
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole
CID 91686358

Frequently Asked Questions

What is the IUPAC name of (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol?
The IUPAC name of (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol (CID 135358048) is (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol.
What is the SMILES notation for (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol?
The canonical SMILES for (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol is OCc1nc2c(Br)cc(Oc3ccccc3)cc2[nH]1.
What is the InChIKey of (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol?
The InChIKey is IGBGJIRRRPPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-11-6-10(19-9-4-2-1-3-5-9)7-12-14(11)17-13(8-18)16-12/h1-7,18H,8H2,(H,16,17).
What are the key properties of (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol?
(4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol has a molecular weight of 319.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-phenoxy-1H-benzimidazol-2-yl)methanol is sourced from PubChem (CID 135358048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).