2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride

C14H17Cl2N3OS — CID 23291473

IUPAC2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride
SMILESCl.Cl.c1csc(CNCCOc2cccc3[nH]cnc23)c1
InChIInChI=1S/C14H15N3OS.2ClH/c1-4-12-14(17-10-16-12)13(5-1)18-7-6-15-9-11-3-2-8-19-11;;/h1-5,8,10,15H,6-7,9H2,(H,16,17);2*1H
InChIKeyTUHWAKRSZQFGDU-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.64
Rot. Bonds6

About 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride

2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride (PubChem CID 23291473) has the molecular formula C14H17Cl2N3OS and a molecular weight of 346.28 g/mol. Its IUPAC name is 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride
PubChem CID23291473
Molecular FormulaC14H17Cl2N3OS
Molecular Weight346.28 g/mol
Exact Mass345.05
IUPAC Name2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride
SMILESCl.Cl.c1csc(CNCCOc2cccc3[nH]cnc23)c1
InChIInChI=1S/C14H15N3OS.2ClH/c1-4-12-14(17-10-16-12)13(5-1)18-7-6-15-9-11-3-2-8-19-11;;/h1-5,8,10,15H,6-7,9H2,(H,16,17);2*1H
InChIKeyTUHWAKRSZQFGDU-UHFFFAOYSA-N
XLogP3.64
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;tetrahydrate
CID 142643859
4-(thiophen-2-ylmethoxy)-1H-benzimidazole
CID 54293133
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 59054295
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39381817
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
CID 10663658
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride (CID 23291473) is 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride is Cl.Cl.c1csc(CNCCOc2cccc3[nH]cnc23)c1.
What is the InChIKey of 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride?
The InChIKey is TUHWAKRSZQFGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS.2ClH/c1-4-12-14(17-10-16-12)13(5-1)18-7-6-15-9-11-3-2-8-19-11;;/h1-5,8,10,15H,6-7,9H2,(H,16,17);2*1H.
What are the key properties of 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride?
2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride has a molecular weight of 346.28 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-4-yloxy)-N-(thiophen-2-ylmethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 23291473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).