2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole

C16H15BrN2 — CID 63399315

IUPAC2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(Br)cc3C)[nH]c2cc1C
InChIInChI=1S/C16H15BrN2/c1-9-7-14-15(8-10(9)2)19-16(18-14)13-5-4-12(17)6-11(13)3/h4-8H,1-3H3,(H,18,19)
InChIKeyJYLUSMLPZKGOHL-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.92
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole

2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 63399315) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID63399315
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(Br)cc3C)[nH]c2cc1C
InChIInChI=1S/C16H15BrN2/c1-9-7-14-15(8-10(9)2)19-16(18-14)13-5-4-12(17)6-11(13)3/h4-8H,1-3H3,(H,18,19)
InChIKeyJYLUSMLPZKGOHL-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole (CID 63399315) is 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(-c3ccc(Br)cc3C)[nH]c2cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is JYLUSMLPZKGOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-9-7-14-15(8-10(9)2)19-16(18-14)13-5-4-12(17)6-11(13)3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole?
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 315.21 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 63399315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).