2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole

C22H19BrN2O — CID 19224790

IUPAC2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc(COc2ccc(Br)cc2-c2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C22H19BrN2O/c1-14-3-6-16(7-4-14)13-26-21-10-8-17(23)12-18(21)22-24-19-9-5-15(2)11-20(19)25-22/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyGSOISKBONFWFPM-UHFFFAOYSA-N
MW407.31 g/mol
LogP6.19
Rot. Bonds4

About 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole

2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole (PubChem CID 19224790) has the molecular formula C22H19BrN2O and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
PubChem CID19224790
Molecular FormulaC22H19BrN2O
Molecular Weight407.31 g/mol
Exact Mass406.07
IUPAC Name2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc(COc2ccc(Br)cc2-c2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C22H19BrN2O/c1-14-3-6-16(7-4-14)13-26-21-10-8-17(23)12-18(21)22-24-19-9-5-15(2)11-20(19)25-22/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyGSOISKBONFWFPM-UHFFFAOYSA-N
XLogP6.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole (CID 19224790) is 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole is Cc1ccc(COc2ccc(Br)cc2-c2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The InChIKey is GSOISKBONFWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O/c1-14-3-6-16(7-4-14)13-26-21-10-8-17(23)12-18(21)22-24-19-9-5-15(2)11-20(19)25-22/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole has a molecular weight of 407.31 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 19224790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).