2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole

C15H13BrN2O — CID 755505

IUPAC2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole
SMILESCOCn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C15H13BrN2O/c1-19-10-18-14-8-3-2-7-13(14)17-15(18)11-5-4-6-12(16)9-11/h2-9H,10H2,1H3
InChIKeyMXJLRKCWOVEZNV-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.07
Rot. Bonds3

About 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole

2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole (PubChem CID 755505) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole
PubChem CID755505
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole
SMILESCOCn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C15H13BrN2O/c1-19-10-18-14-8-3-2-7-13(14)17-15(18)11-5-4-6-12(16)9-11/h2-9H,10H2,1H3
InChIKeyMXJLRKCWOVEZNV-UHFFFAOYSA-N
XLogP4.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole (CID 755505) is 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole is COCn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole?
The InChIKey is MXJLRKCWOVEZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-10-18-14-8-3-2-7-13(14)17-15(18)11-5-4-6-12(16)9-11/h2-9H,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole?
2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole has a molecular weight of 317.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(methoxymethyl)benzimidazole is sourced from PubChem (CID 755505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).