4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole

C12H10BrN3S — CID 79754486

IUPAC4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
SMILESCn1c(Cc2nc(Br)cs2)nc2ccccc21
InChIInChI=1S/C12H10BrN3S/c1-16-9-5-3-2-4-8(9)14-11(16)6-12-15-10(13)7-17-12/h2-5,7H,6H2,1H3
InChIKeyUUEQDQYQEIFIKW-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.38
Rot. Bonds2

About 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole

4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole (PubChem CID 79754486) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
PubChem CID79754486
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
SMILESCn1c(Cc2nc(Br)cs2)nc2ccccc21
InChIInChI=1S/C12H10BrN3S/c1-16-9-5-3-2-4-8(9)14-11(16)6-12-15-10(13)7-17-12/h2-5,7H,6H2,1H3
InChIKeyUUEQDQYQEIFIKW-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
CID 79753901
[1-(3-chlorothiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321032
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115566654
2-(4-chlorobut-2-ynyl)-1-methylbenzimidazole
CID 79754296
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole (CID 79754486) is 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole is Cn1c(Cc2nc(Br)cs2)nc2ccccc21.
What is the InChIKey of 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole?
The InChIKey is UUEQDQYQEIFIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c1-16-9-5-3-2-4-8(9)14-11(16)6-12-15-10(13)7-17-12/h2-5,7H,6H2,1H3.
What are the key properties of 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole?
4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole has a molecular weight of 308.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 79754486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).