4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine

C15H22BrN3 — CID 62048134

IUPAC4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
SMILESCC(C)n1c(CCC(C)(C)N)nc2cc(Br)ccc21
InChIInChI=1S/C15H22BrN3/c1-10(2)19-13-6-5-11(16)9-12(13)18-14(19)7-8-15(3,4)17/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyRJZVAXWWBDNNNE-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.05
Rot. Bonds4

About 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine

4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine (PubChem CID 62048134) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
PubChem CID62048134
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
SMILESCC(C)n1c(CCC(C)(C)N)nc2cc(Br)ccc21
InChIInChI=1S/C15H22BrN3/c1-10(2)19-13-6-5-11(16)9-12(13)18-14(19)7-8-15(3,4)17/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyRJZVAXWWBDNNNE-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine 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

4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 60783637
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60835528
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine (CID 62048134) is 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine is CC(C)n1c(CCC(C)(C)N)nc2cc(Br)ccc21.
What is the InChIKey of 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine?
The InChIKey is RJZVAXWWBDNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-10(2)19-13-6-5-11(16)9-12(13)18-14(19)7-8-15(3,4)17/h5-6,9-10H,7-8,17H2,1-4H3.
What are the key properties of 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine?
4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine has a molecular weight of 324.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 62048134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).