5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole

C17H25BrN2 — CID 90864285

IUPAC5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
SMILESCC(C)(C)Cc1nc2cc(Br)ccc2n1CC(C)(C)C
InChIInChI=1S/C17H25BrN2/c1-16(2,3)10-15-19-13-9-12(18)7-8-14(13)20(15)11-17(4,5)6/h7-9H,10-11H2,1-6H3
InChIKeyIMWBZUSTOBTXRW-UHFFFAOYSA-N
MW337.31 g/mol
LogP5.43
Rot. Bonds2

About 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole

5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole (PubChem CID 90864285) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
PubChem CID90864285
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
SMILESCC(C)(C)Cc1nc2cc(Br)ccc2n1CC(C)(C)C
InChIInChI=1S/C17H25BrN2/c1-16(2,3)10-15-19-13-9-12(18)7-8-14(13)20(15)11-17(4,5)6/h7-9H,10-11H2,1-6H3
InChIKeyIMWBZUSTOBTXRW-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.31
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723483
6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
CID 68614796
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 60835708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole?
The IUPAC name of 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole (CID 90864285) is 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole.
What is the SMILES notation for 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole?
The canonical SMILES for 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole is CC(C)(C)Cc1nc2cc(Br)ccc2n1CC(C)(C)C.
What is the InChIKey of 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole?
The InChIKey is IMWBZUSTOBTXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-16(2,3)10-15-19-13-9-12(18)7-8-14(13)20(15)11-17(4,5)6/h7-9H,10-11H2,1-6H3.
What are the key properties of 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole?
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole has a molecular weight of 337.31 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole is sourced from PubChem (CID 90864285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).