N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine

C17H18BrN3 — CID 71876443

IUPACN-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
SMILESCC(NCCn1cnc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3/c1-13(14-6-8-15(18)9-7-14)19-10-11-21-12-20-16-4-2-3-5-17(16)21/h2-9,12-13,19H,10-11H2,1H3
InChIKeySPNOQATXOBTOLG-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine

N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine (PubChem CID 71876443) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
PubChem CID71876443
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
SMILESCC(NCCn1cnc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3/c1-13(14-6-8-15(18)9-7-14)19-10-11-21-12-20-16-4-2-3-5-17(16)21/h2-9,12-13,19H,10-11H2,1H3
InChIKeySPNOQATXOBTOLG-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzimidazol-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 71862770
3-(benzimidazol-1-yl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089253
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
CID 43094155
3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134012965
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
bis(1-butylbenzimidazole);ethane
CID 142164287
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine (CID 71876443) is N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine is CC(NCCn1cnc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine?
The InChIKey is SPNOQATXOBTOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-13(14-6-8-15(18)9-7-14)19-10-11-21-12-20-16-4-2-3-5-17(16)21/h2-9,12-13,19H,10-11H2,1H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine?
N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine has a molecular weight of 344.26 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine is sourced from PubChem (CID 71876443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).