2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole

C11H13BrN2 — CID 18966898

IUPAC2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole
SMILESCc1c(C)c(C)c2[nH]c(Br)nc2c1C
InChIInChI=1S/C11H13BrN2/c1-5-6(2)8(4)10-9(7(5)3)13-11(12)14-10/h1-4H3,(H,13,14)
InChIKeyMFGCMTDSOAASRI-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.56
Rot. Bonds

About 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole

2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole (PubChem CID 18966898) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole
PubChem CID18966898
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole
SMILESCc1c(C)c(C)c2[nH]c(Br)nc2c1C
InChIInChI=1S/C11H13BrN2/c1-5-6(2)8(4)10-9(7(5)3)13-11(12)14-10/h1-4H3,(H,13,14)
InChIKeyMFGCMTDSOAASRI-UHFFFAOYSA-N
XLogP3.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole?
The IUPAC name of 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole (CID 18966898) is 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole.
What is the SMILES notation for 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole?
The canonical SMILES for 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole is Cc1c(C)c(C)c2[nH]c(Br)nc2c1C.
What is the InChIKey of 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole?
The InChIKey is MFGCMTDSOAASRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-5-6(2)8(4)10-9(7(5)3)13-11(12)14-10/h1-4H3,(H,13,14).
What are the key properties of 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole?
2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole has a molecular weight of 253.14 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole is sourced from PubChem (CID 18966898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).