4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole

C14H11BrF3N3S — CID 90033568

IUPAC4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(Cn2c(C)nc3ccc(Br)cc32)c(C(F)(F)F)s1
InChIInChI=1S/C14H11BrF3N3S/c1-7-19-10-4-3-9(15)5-12(10)21(7)6-11-13(14(16,17)18)22-8(2)20-11/h3-5H,6H2,1-2H3
InChIKeyCJXQYTAQHKDKDC-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.94
Rot. Bonds2

About 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole

4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 90033568) has the molecular formula C14H11BrF3N3S and a molecular weight of 390.23 g/mol. Its IUPAC name is 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole
PubChem CID90033568
Molecular FormulaC14H11BrF3N3S
Molecular Weight390.23 g/mol
Exact Mass388.98
IUPAC Name4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(Cn2c(C)nc3ccc(Br)cc32)c(C(F)(F)F)s1
InChIInChI=1S/C14H11BrF3N3S/c1-7-19-10-4-3-9(15)5-12(10)21(7)6-11-13(14(16,17)18)22-8(2)20-11/h3-5H,6H2,1-2H3
InChIKeyCJXQYTAQHKDKDC-UHFFFAOYSA-N
XLogP4.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole (CID 90033568) is 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole is Cc1nc(Cn2c(C)nc3ccc(Br)cc32)c(C(F)(F)F)s1.
What is the InChIKey of 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CJXQYTAQHKDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3S/c1-7-19-10-4-3-9(15)5-12(10)21(7)6-11-13(14(16,17)18)22-8(2)20-11/h3-5H,6H2,1-2H3.
What are the key properties of 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole?
4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 390.23 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-methylbenzimidazol-1-yl)methyl]-2-methyl-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 90033568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).