2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

C15H16ClN3S — CID 105173484

IUPAC2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cn1cnc2ccccc21)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClN3S/c1-2-17-12(14-7-8-15(16)20-14)9-19-10-18-11-5-3-4-6-13(11)19/h3-8,10,12,17H,2,9H2,1H3
InChIKeyUMZQEFCZMOCUEN-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.10
Rot. Bonds5

About 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine

2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 105173484) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID105173484
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cn1cnc2ccccc21)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClN3S/c1-2-17-12(14-7-8-15(16)20-14)9-19-10-18-11-5-3-4-6-13(11)19/h3-8,10,12,17H,2,9H2,1H3
InChIKeyUMZQEFCZMOCUEN-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409
1-(5-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43492048
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 105180009
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 105118530
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 105152945
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005837
1-(5-chlorothiophen-2-yl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547063
[1-(benzimidazol-1-yl)-3-ethylpentan-2-yl]hydrazine
CID 105323983
1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
CID 105127217

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 105173484) is 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cn1cnc2ccccc21)c1ccc(Cl)s1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is UMZQEFCZMOCUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-2-17-12(14-7-8-15(16)20-14)9-19-10-18-11-5-3-4-6-13(11)19/h3-8,10,12,17H,2,9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine?
2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 305.83 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 105173484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).