2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine

C14H14ClN3S2 — CID 62874589

IUPAC2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCc1ccc2nc(SC(CN)c3ccc(Cl)s3)[nH]c2c1
InChIInChI=1S/C14H14ClN3S2/c1-8-2-3-9-10(6-8)18-14(17-9)20-12(7-16)11-4-5-13(15)19-11/h2-6,12H,7,16H2,1H3,(H,17,18)
InChIKeyPCSXZIYQEXBKLU-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.38
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine

2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (PubChem CID 62874589) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
PubChem CID62874589
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCc1ccc2nc(SC(CN)c3ccc(Cl)s3)[nH]c2c1
InChIInChI=1S/C14H14ClN3S2/c1-8-2-3-9-10(6-8)18-14(17-9)20-12(7-16)11-4-5-13(15)19-11/h2-6,12H,7,16H2,1H3,(H,17,18)
InChIKeyPCSXZIYQEXBKLU-UHFFFAOYSA-N
XLogP4.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine with MolForge

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Related Compounds

2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875765
2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875603
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 62901634
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
3-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]butan-1-amine
CID 62874777
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
2-(4-tert-butylphenyl)sulfanyl-2-(5-chlorothiophen-2-yl)ethanamine
CID 63538576

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (CID 62874589) is 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is Cc1ccc2nc(SC(CN)c3ccc(Cl)s3)[nH]c2c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The InChIKey is PCSXZIYQEXBKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c1-8-2-3-9-10(6-8)18-14(17-9)20-12(7-16)11-4-5-13(15)19-11/h2-6,12H,7,16H2,1H3,(H,17,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine has a molecular weight of 323.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 62874589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).