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

C16H16ClN3S — CID 62875765

IUPAC2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCc1ccc2nc(SC(CN)c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C16H16ClN3S/c1-10-6-7-13-14(8-10)20-16(19-13)21-15(9-18)11-4-2-3-5-12(11)17/h2-8,15H,9,18H2,1H3,(H,19,20)
InChIKeyMXSQNWWEWMNGTJ-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.32
Rot. Bonds4

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

2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (PubChem CID 62875765) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
PubChem CID62875765
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCc1ccc2nc(SC(CN)c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C16H16ClN3S/c1-10-6-7-13-14(8-10)20-16(19-13)21-15(9-18)11-4-2-3-5-12(11)17/h2-8,15H,9,18H2,1H3,(H,19,20)
InChIKeyMXSQNWWEWMNGTJ-UHFFFAOYSA-N
XLogP4.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62874589
2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875603
[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63836193
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
CID 115997228
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 62901634
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-(2-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 62771955
3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 4198724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (CID 62875765) is 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is Cc1ccc2nc(SC(CN)c3ccccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The InChIKey is MXSQNWWEWMNGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-10-6-7-13-14(8-10)20-16(19-13)21-15(9-18)11-4-2-3-5-12(11)17/h2-8,15H,9,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine has a molecular weight of 317.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 62875765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).