3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine

C16H24BrN3 — CID 104574108

IUPAC3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
SMILESCc1cc(Br)cc2[nH]c(CCC(CCN)C(C)C)nc12
InChIInChI=1S/C16H24BrN3/c1-10(2)12(6-7-18)4-5-15-19-14-9-13(17)8-11(3)16(14)20-15/h8-10,12H,4-7,18H2,1-3H3,(H,19,20)
InChIKeyRVVSCNLDHBQERF-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.19
Rot. Bonds6

About 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine

3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine (PubChem CID 104574108) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
PubChem CID104574108
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
SMILESCc1cc(Br)cc2[nH]c(CCC(CCN)C(C)C)nc12
InChIInChI=1S/C16H24BrN3/c1-10(2)12(6-7-18)4-5-15-19-14-9-13(17)8-11(3)16(14)20-15/h8-10,12H,4-7,18H2,1-3H3,(H,19,20)
InChIKeyRVVSCNLDHBQERF-UHFFFAOYSA-N
XLogP4.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine (CID 104574108) is 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine is Cc1cc(Br)cc2[nH]c(CCC(CCN)C(C)C)nc12.
What is the InChIKey of 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine?
The InChIKey is RVVSCNLDHBQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-10(2)12(6-7-18)4-5-15-19-14-9-13(17)8-11(3)16(14)20-15/h8-10,12H,4-7,18H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine?
3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine has a molecular weight of 338.29 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 104574108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).