N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C15H22BrN3S — CID 79752603

IUPACN-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1cc(Br)cs1
InChIInChI=1S/C15H22BrN3S/c1-3-5-17-13(14-9-12(16)11-20-14)10-15-18-6-8-19(15)7-4-2/h6,8-9,11,13,17H,3-5,7,10H2,1-2H3
InChIKeyHSQKRBABCFRFCR-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.40
Rot. Bonds8

About N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 79752603) has the molecular formula C15H22BrN3S and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID79752603
Molecular FormulaC15H22BrN3S
Molecular Weight356.33 g/mol
Exact Mass355.07
IUPAC NameN-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1cc(Br)cs1
InChIInChI=1S/C15H22BrN3S/c1-3-5-17-13(14-9-12(16)11-20-14)10-15-18-6-8-19(15)7-4-2/h6,8-9,11,13,17H,3-5,7,10H2,1-2H3
InChIKeyHSQKRBABCFRFCR-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105222666
N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105012328
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009051
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323417
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012207
N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79751340
N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 104805932
N-[1-(3-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009218
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 79752603) is N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CCC)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is HSQKRBABCFRFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3S/c1-3-5-17-13(14-9-12(16)11-20-14)10-15-18-6-8-19(15)7-4-2/h6,8-9,11,13,17H,3-5,7,10H2,1-2H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 356.33 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79752603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).