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

C15H22BrN3 — CID 60783637

IUPAC1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C15H22BrN3/c1-5-10(4)14(17)15-18-12-8-11(16)6-7-13(12)19(15)9(2)3/h6-10,14H,5,17H2,1-4H3
InChIKeyPRCMBVRVWLNJCP-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.43
Rot. Bonds4

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

1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine (PubChem CID 60783637) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
PubChem CID60783637
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C15H22BrN3/c1-5-10(4)14(17)15-18-12-8-11(16)6-7-13(12)19(15)9(2)3/h6-10,14H,5,17H2,1-4H3
InChIKeyPRCMBVRVWLNJCP-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)butanoate
CID 79480803
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine
CID 65284180
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82334028
4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62048134
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine (CID 60783637) is 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1nc2cc(Br)ccc2n1C(C)C.
What is the InChIKey of 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine?
The InChIKey is PRCMBVRVWLNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-5-10(4)14(17)15-18-12-8-11(16)6-7-13(12)19(15)9(2)3/h6-10,14H,5,17H2,1-4H3.
What are the key properties of 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine?
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine has a molecular weight of 324.27 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 60783637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).