4-bromo-2-tert-butyl-1-methylbenzimidazole

C12H15BrN2 — CID 82379645

IUPAC4-bromo-2-tert-butyl-1-methylbenzimidazole
SMILESCn1c(C(C)(C)C)nc2c(Br)cccc21
InChIInChI=1S/C12H15BrN2/c1-12(2,3)11-14-10-8(13)6-5-7-9(10)15(11)4/h5-7H,1-4H3
InChIKeyAWBXGDXKORIYFU-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.63
Rot. Bonds

About 4-bromo-2-tert-butyl-1-methylbenzimidazole

4-bromo-2-tert-butyl-1-methylbenzimidazole (PubChem CID 82379645) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-1-methylbenzimidazole.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-1-methylbenzimidazole
PubChem CID82379645
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name4-bromo-2-tert-butyl-1-methylbenzimidazole
SMILESCn1c(C(C)(C)C)nc2c(Br)cccc21
InChIInChI=1S/C12H15BrN2/c1-12(2,3)11-14-10-8(13)6-5-7-9(10)15(11)4/h5-7H,1-4H3
InChIKeyAWBXGDXKORIYFU-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-tert-butyl-1-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935
8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
CID 90004402
1-bromo-3-tert-butylimidazo[1,5-a]pyridin-5-amine
CID 83844677
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642999
2-[5-(4-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 166368450
1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
2-(2-hydroxypropan-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 104720721
1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
CID 84643906
ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 143205877
4-bromo-1-butyl-2-chlorobenzimidazole
CID 164912104
N-[2-(4-bromo-1-methylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84644086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-1-methylbenzimidazole?
The IUPAC name of 4-bromo-2-tert-butyl-1-methylbenzimidazole (CID 82379645) is 4-bromo-2-tert-butyl-1-methylbenzimidazole.
What is the SMILES notation for 4-bromo-2-tert-butyl-1-methylbenzimidazole?
The canonical SMILES for 4-bromo-2-tert-butyl-1-methylbenzimidazole is Cn1c(C(C)(C)C)nc2c(Br)cccc21.
What is the InChIKey of 4-bromo-2-tert-butyl-1-methylbenzimidazole?
The InChIKey is AWBXGDXKORIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-12(2,3)11-14-10-8(13)6-5-7-9(10)15(11)4/h5-7H,1-4H3.
What are the key properties of 4-bromo-2-tert-butyl-1-methylbenzimidazole?
4-bromo-2-tert-butyl-1-methylbenzimidazole has a molecular weight of 267.17 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-1-methylbenzimidazole is sourced from PubChem (CID 82379645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).