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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
CID 113428425
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-3-methylpentan-1-amine
CID 82947286
6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
CID 113428442
6-bromo-2-(3,3-dimethylbutyl)-4-methyl-1H-benzimidazole
CID 114212796
6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
CID 104574519
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 104574138
6-bromo-4-methyl-2-(2-propoxyethyl)-1H-benzimidazole
CID 104574604
N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84644091
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 104574011
[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 104574289
6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 104574434

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).