3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

C14H14BrN3S — CID 104574178

IUPAC3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1C
InChIInChI=1S/C14H14BrN3S/c1-6-4-9(15)5-10-12(6)18-14(17-10)11-7(2)8(3)19-13(11)16/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyPBEPCNFIAPOVIL-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.56
Rot. Bonds1

About 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 104574178) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID104574178
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1C
InChIInChI=1S/C14H14BrN3S/c1-6-4-9(15)5-10-12(6)18-14(17-10)11-7(2)8(3)19-13(11)16/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyPBEPCNFIAPOVIL-UHFFFAOYSA-N
XLogP4.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 62336559
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 82000693
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 104574178) is 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1C.
What is the InChIKey of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is PBEPCNFIAPOVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-6-4-9(15)5-10-12(6)18-14(17-10)11-7(2)8(3)19-13(11)16/h4-5H,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 104574178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).