[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol

C14H11BrN2O — CID 84756442

IUPAC[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
SMILESOCc1ccc2nc(-c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C14H11BrN2O/c15-11-3-1-2-10(7-11)14-16-12-5-4-9(8-18)6-13(12)17-14/h1-7,18H,8H2,(H,16,17)
InChIKeyDVEBDKKDRTXJGL-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.48
Rot. Bonds2

About [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol

[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol (PubChem CID 84756442) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
PubChem CID84756442
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol
SMILESOCc1ccc2nc(-c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C14H11BrN2O/c15-11-3-1-2-10(7-11)14-16-12-5-4-9(8-18)6-13(12)17-14/h1-7,18H,8H2,(H,16,17)
InChIKeyDVEBDKKDRTXJGL-UHFFFAOYSA-N
XLogP3.48
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
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2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
6-bromo-2-(3-iodophenyl)-1H-benzimidazole
CID 64724141
propyl 2-(3-bromophenyl)-3H-benzimidazole-5-carboxylate
CID 97036279
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
CID 66602187
methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
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2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
CID 103597094

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol (CID 84756442) is [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol is OCc1ccc2nc(-c3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol?
The InChIKey is DVEBDKKDRTXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-3-1-2-10(7-11)14-16-12-5-4-9(8-18)6-13(12)17-14/h1-7,18H,8H2,(H,16,17).
What are the key properties of [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol?
[2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol has a molecular weight of 303.16 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 84756442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).