5-bromo-2-methyl-1-propan-2-ylbenzimidazole

C11H13BrN2 — CID 82499504

IUPAC5-bromo-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14/h4-7H,1-3H3
InChIKeyWQHFEZKURYIXRR-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.69
Rot. Bonds1

About 5-bromo-2-methyl-1-propan-2-ylbenzimidazole

5-bromo-2-methyl-1-propan-2-ylbenzimidazole (PubChem CID 82499504) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 5-bromo-2-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-methyl-1-propan-2-ylbenzimidazole
PubChem CID82499504
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name5-bromo-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14/h4-7H,1-3H3
InChIKeyWQHFEZKURYIXRR-UHFFFAOYSA-N
XLogP3.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-bromo-2-methyl-1-propan-2-ylbenzimidazole (CID 82499504) is 5-bromo-2-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-bromo-2-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-bromo-2-methyl-1-propan-2-ylbenzimidazole is Cc1nc2cc(Br)ccc2n1C(C)C.
What is the InChIKey of 5-bromo-2-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is WQHFEZKURYIXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14/h4-7H,1-3H3.
What are the key properties of 5-bromo-2-methyl-1-propan-2-ylbenzimidazole?
5-bromo-2-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 253.14 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 82499504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).