2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine

C15H15N3S — CID 55017219

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
SMILESNCC(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H15N3S/c16-10-14(11-6-2-1-3-7-11)19-15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10,16H2,(H,17,18)
InChIKeyYEUBKWIFGZQJDN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.36
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine

2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine (PubChem CID 55017219) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
PubChem CID55017219
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
SMILESNCC(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H15N3S/c16-10-14(11-6-2-1-3-7-11)19-15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10,16H2,(H,17,18)
InChIKeyYEUBKWIFGZQJDN-UHFFFAOYSA-N
XLogP3.36
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 64695466
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-(1H-imidazol-2-ylsulfanyl)-2-phenylethanamine
CID 107779655
2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875603
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
CID 63581501
2,3-bis(1H-benzimidazol-2-ylsulfanyl)-1-N',4-N'-dihydroxybutanediimidamide
CID 173429813
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
CID 2814568
N-[1H-benzimidazol-2-ylsulfanyl(phenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 139649364
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
1H-benzimidazol-2-yl(1H-benzimidazol-2-ylsulfanyl)methanethiol
CID 123438509
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine (CID 55017219) is 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine is NCC(Sc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine?
The InChIKey is YEUBKWIFGZQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-10-14(11-6-2-1-3-7-11)19-15-17-12-8-4-5-9-13(12)18-15/h1-9,14H,10,16H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine?
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine is sourced from PubChem (CID 55017219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).