2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine

C16H16BrN3S — CID 62875603

IUPAC2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCc1ccc2nc(SC(CN)c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C16H16BrN3S/c1-10-5-6-13-14(7-10)20-16(19-13)21-15(9-18)11-3-2-4-12(17)8-11/h2-8,15H,9,18H2,1H3,(H,19,20)
InChIKeySWZKPYIBJZPADC-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.43
Rot. Bonds4

About 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine

2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (PubChem CID 62875603) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
PubChem CID62875603
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCc1ccc2nc(SC(CN)c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C16H16BrN3S/c1-10-5-6-13-14(7-10)20-16(19-13)21-15(9-18)11-3-2-4-12(17)8-11/h2-8,15H,9,18H2,1H3,(H,19,20)
InChIKeySWZKPYIBJZPADC-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875765
2-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62874589
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
2-[4-bromo-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanamine
CID 63819183
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62255249
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 62901634
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 60656440

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (CID 62875603) is 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is Cc1ccc2nc(SC(CN)c3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The InChIKey is SWZKPYIBJZPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-10-5-6-13-14(7-10)20-16(19-13)21-15(9-18)11-3-2-4-12(17)8-11/h2-8,15H,9,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine has a molecular weight of 362.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 62875603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).