6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine

C17H26BrN3 — CID 65284180

IUPAC6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C17H26BrN3/c1-11(2)21-16-9-8-14(18)10-15(16)20-17(21)12(3)6-5-7-13(4)19/h8-13H,5-7,19H2,1-4H3
InChIKeyWNYSOPZJYBOMDP-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.00
Rot. Bonds6

About 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine

6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine (PubChem CID 65284180) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine
PubChem CID65284180
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C17H26BrN3/c1-11(2)21-16-9-8-14(18)10-15(16)20-17(21)12(3)6-5-7-13(4)19/h8-13H,5-7,19H2,1-4H3
InChIKeyWNYSOPZJYBOMDP-UHFFFAOYSA-N
XLogP5.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 60783637
ethyl 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)butanoate
CID 79480803
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539744
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 55105214
4-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pentan-1-amine
CID 104683368
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

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine?
The IUPAC name of 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine (CID 65284180) is 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine.
What is the SMILES notation for 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine?
The canonical SMILES for 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine is CC(N)CCCC(C)c1nc2cc(Br)ccc2n1C(C)C.
What is the InChIKey of 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine?
The InChIKey is WNYSOPZJYBOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-11(2)21-16-9-8-14(18)10-15(16)20-17(21)12(3)6-5-7-13(4)19/h8-13H,5-7,19H2,1-4H3.
What are the key properties of 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine?
6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine has a molecular weight of 352.32 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine is sourced from PubChem (CID 65284180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).