1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole

C13H17BrN2 — CID 64994591

IUPAC1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC(C)(C)CBr
InChIInChI=1S/C13H17BrN2/c1-10-15-11-6-4-5-7-12(11)16(10)9-13(2,3)8-14/h4-7H,8-9H2,1-3H3
InChIKeyVLKMBOUFWYEECQ-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole

1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole (PubChem CID 64994591) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
PubChem CID64994591
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC(C)(C)CBr
InChIInChI=1S/C13H17BrN2/c1-10-15-11-6-4-5-7-12(11)16(10)9-13(2,3)8-14/h4-7H,8-9H2,1-3H3
InChIKeyVLKMBOUFWYEECQ-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436
1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole
CID 116790662
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
1-(4-bromo-3,3-dimethylbutyl)-2-phenylsulfanylbenzimidazole
CID 10548368
2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 65248934

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole?
The IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole (CID 64994591) is 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1CC(C)(C)CBr.
What is the InChIKey of 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole?
The InChIKey is VLKMBOUFWYEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-10-15-11-6-4-5-7-12(11)16(10)9-13(2,3)8-14/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole?
1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole has a molecular weight of 281.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole is sourced from PubChem (CID 64994591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).