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

C12H11BrN4S — CID 62792169

IUPAC5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc2cc(Br)ccc2n1C
InChIInChI=1S/C12H11BrN4S/c1-6-10(18-12(14)15-6)11-16-8-5-7(13)3-4-9(8)17(11)2/h3-5H,1-2H3,(H2,14,15)
InChIKeyXTVSBZYMXXXGQD-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.35
Rot. Bonds1

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

5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62792169) has the molecular formula C12H11BrN4S and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62792169
Molecular FormulaC12H11BrN4S
Molecular Weight323.22 g/mol
Exact Mass321.99
IUPAC Name5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc2cc(Br)ccc2n1C
InChIInChI=1S/C12H11BrN4S/c1-6-10(18-12(14)15-6)11-16-8-5-7(13)3-4-9(8)17(11)2/h3-5H,1-2H3,(H2,14,15)
InChIKeyXTVSBZYMXXXGQD-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915452
3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60783314
5-(1,7-dimethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 81455592
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
4-methyl-5-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 114113082
5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
CID 91644628
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
5-bromo-1-methyl-2-methylsulfanylbenzimidazole
CID 83679153
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
2-(1,5-dimethylbenzimidazol-2-yl)thiophen-3-amine
CID 60785137

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine (CID 62792169) is 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc2cc(Br)ccc2n1C.
What is the InChIKey of 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XTVSBZYMXXXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S/c1-6-10(18-12(14)15-6)11-16-8-5-7(13)3-4-9(8)17(11)2/h3-5H,1-2H3,(H2,14,15).
What are the key properties of 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine?
5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 323.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62792169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).