2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole

C13H11BrN2S — CID 63796925

IUPAC2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3sccc3Br)[nH]c2cc1C
InChIInChI=1S/C13H11BrN2S/c1-7-5-10-11(6-8(7)2)16-13(15-10)12-9(14)3-4-17-12/h3-6H,1-2H3,(H,15,16)
InChIKeyFGMWAPIINNVKFT-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.67
Rot. Bonds1

About 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole

2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 63796925) has the molecular formula C13H11BrN2S and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole
PubChem CID63796925
Molecular FormulaC13H11BrN2S
Molecular Weight307.22 g/mol
Exact Mass305.98
IUPAC Name2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(-c3sccc3Br)[nH]c2cc1C
InChIInChI=1S/C13H11BrN2S/c1-7-5-10-11(6-8(7)2)16-13(15-10)12-9(14)3-4-17-12/h3-6H,1-2H3,(H,15,16)
InChIKeyFGMWAPIINNVKFT-UHFFFAOYSA-N
XLogP4.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915474
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
CID 24695739
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(3-bromothiophen-2-yl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136989025
2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 81463096
[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004485
2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 63495096
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 122372688
4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
CID 60646555
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole (CID 63796925) is 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(-c3sccc3Br)[nH]c2cc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is FGMWAPIINNVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2S/c1-7-5-10-11(6-8(7)2)16-13(15-10)12-9(14)3-4-17-12/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole?
2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 307.22 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 63796925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).