N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine

C16H18BrN3S — CID 103910469

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1nc2ccccc2n1C
InChIInChI=1S/C16H18BrN3S/c1-11(18-10-9-12-7-8-15(17)21-12)16-19-13-5-3-4-6-14(13)20(16)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKYCGMOVFHUPHAM-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.29
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 103910469) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID103910469
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1nc2ccccc2n1C
InChIInChI=1S/C16H18BrN3S/c1-11(18-10-9-12-7-8-15(17)21-12)16-19-13-5-3-4-6-14(13)20(16)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKYCGMOVFHUPHAM-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
1-(1,3-benzothiazol-2-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 103778873
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 55028090
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine (CID 103910469) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine is CC(NCCc1ccc(Br)s1)c1nc2ccccc2n1C.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is KYCGMOVFHUPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c1-11(18-10-9-12-7-8-15(17)21-12)16-19-13-5-3-4-6-14(13)20(16)2/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 364.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 103910469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).