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

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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).