6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine

C14H20BrN3 — CID 65345208

IUPAC6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine
SMILESCCC(CC)(CC)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C14H20BrN3/c1-4-14(5-2,6-3)18-12-9-10(15)7-8-11(12)17-13(18)16/h7-9H,4-6H2,1-3H3,(H2,16,17)
InChIKeyRXPPKFFBAPJQCQ-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.31
Rot. Bonds4

About 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine

6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine (PubChem CID 65345208) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine
PubChem CID65345208
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine
SMILESCCC(CC)(CC)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C14H20BrN3/c1-4-14(5-2,6-3)18-12-9-10(15)7-8-11(12)17-13(18)16/h7-9H,4-6H2,1-3H3,(H2,16,17)
InChIKeyRXPPKFFBAPJQCQ-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine (CID 65345208) is 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine is CCC(CC)(CC)n1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine?
The InChIKey is RXPPKFFBAPJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-4-14(5-2,6-3)18-12-9-10(15)7-8-11(12)17-13(18)16/h7-9H,4-6H2,1-3H3,(H2,16,17).
What are the key properties of 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine?
6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine has a molecular weight of 310.24 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 65345208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).