3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

C14H14BrN3S — CID 60783314

IUPAC3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3cc(Br)ccc3n2C)c1C
InChIInChI=1S/C14H14BrN3S/c1-7-8(2)19-13(16)12(7)14-17-10-6-9(15)4-5-11(10)18(14)3/h4-6H,16H2,1-3H3
InChIKeyFCTJXASPTBTGRV-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.26
Rot. Bonds1

About 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine

3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 60783314) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID60783314
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2nc3cc(Br)ccc3n2C)c1C
InChIInChI=1S/C14H14BrN3S/c1-7-8(2)19-13(16)12(7)14-17-10-6-9(15)4-5-11(10)18(14)3/h4-6H,16H2,1-3H3
InChIKeyFCTJXASPTBTGRV-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 62792169
2-(5-bromo-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915452
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785666
5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
CID 91644628
5-(5-bromo-1-methylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 60836698
1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66379806
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
CID 60980790
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
4-(5-bromo-1-ethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79401861
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 60783314) is 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2nc3cc(Br)ccc3n2C)c1C.
What is the InChIKey of 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is FCTJXASPTBTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-7-8(2)19-13(16)12(7)14-17-10-6-9(15)4-5-11(10)18(14)3/h4-6H,16H2,1-3H3.
What are the key properties of 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 60783314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).