3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

C19H15ClN4OS — CID 127042532

IUPAC3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ncc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C19H15ClN4OS/c1-11-12(6-5-7-13(11)20)18(25)23-19-21-10-16(26-19)17-22-14-8-3-4-9-15(14)24(17)2/h3-10H,1-2H3,(H,21,23,25)
InChIKeyXEPQGVMTJRGTCD-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.91
Rot. Bonds3

About 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 127042532) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID127042532
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ncc(-c2nc3ccccc3n2C)s1
InChIInChI=1S/C19H15ClN4OS/c1-11-12(6-5-7-13(11)20)18(25)23-19-21-10-16(26-19)17-22-14-8-3-4-9-15(14)24(17)2/h3-10H,1-2H3,(H,21,23,25)
InChIKeyXEPQGVMTJRGTCD-UHFFFAOYSA-N
XLogP4.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 127042532) is 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is Cc1c(Cl)cccc1C(=O)Nc1ncc(-c2nc3ccccc3n2C)s1.
What is the InChIKey of 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is XEPQGVMTJRGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-11-12(6-5-7-13(11)20)18(25)23-19-21-10-16(26-19)17-22-14-8-3-4-9-15(14)24(17)2/h3-10H,1-2H3,(H,21,23,25).
What are the key properties of 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 382.88 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 127042532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).