N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine

C15H22BrN3 — CID 60835708

IUPACN-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
SMILESCCCn1c(CNC(C)CC)nc2cc(Br)ccc21
InChIInChI=1S/C15H22BrN3/c1-4-8-19-14-7-6-12(16)9-13(14)18-15(19)10-17-11(3)5-2/h6-7,9,11,17H,4-5,8,10H2,1-3H3
InChIKeyGSYOOTYNFFLYSX-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.10
Rot. Bonds6

About N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine

N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine (PubChem CID 60835708) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
PubChem CID60835708
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC NameN-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
SMILESCCCn1c(CNC(C)CC)nc2cc(Br)ccc21
InChIInChI=1S/C15H22BrN3/c1-4-8-19-14-7-6-12(16)9-13(14)18-15(19)10-17-11(3)5-2/h6-7,9,11,17H,4-5,8,10H2,1-3H3
InChIKeyGSYOOTYNFFLYSX-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 115472928
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723483
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 63023819
3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539744
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
CID 22730799
5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 115326558
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
The IUPAC name of N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine (CID 60835708) is N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine is CCCn1c(CNC(C)CC)nc2cc(Br)ccc21.
What is the InChIKey of N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
The InChIKey is GSYOOTYNFFLYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-4-8-19-14-7-6-12(16)9-13(14)18-15(19)10-17-11(3)5-2/h6-7,9,11,17H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine?
N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine has a molecular weight of 324.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 60835708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).