[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol

C13H17BrN2O — CID 22349334

IUPAC[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
SMILESCC(C)CCn1c(CO)nc2ccc(Br)cc21
InChIInChI=1S/C13H17BrN2O/c1-9(2)5-6-16-12-7-10(14)3-4-11(12)15-13(16)8-17/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyJFLNXMPRDLJQSB-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.34
Rot. Bonds4

About [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol

[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol (PubChem CID 22349334) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
PubChem CID22349334
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
SMILESCC(C)CCn1c(CO)nc2ccc(Br)cc21
InChIInChI=1S/C13H17BrN2O/c1-9(2)5-6-16-12-7-10(14)3-4-11(12)15-13(16)8-17/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyJFLNXMPRDLJQSB-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol?
The IUPAC name of [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol (CID 22349334) is [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol is CC(C)CCn1c(CO)nc2ccc(Br)cc21.
What is the InChIKey of [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol?
The InChIKey is JFLNXMPRDLJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(2)5-6-16-12-7-10(14)3-4-11(12)15-13(16)8-17/h3-4,7,9,17H,5-6,8H2,1-2H3.
What are the key properties of [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol?
[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol has a molecular weight of 297.20 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 22349334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).