methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate

C15H15N3O2S — CID 53309497

IUPACmethyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Cc1csc(C)n1)n2C
InChIInChI=1S/C15H15N3O2S/c1-9-16-11(8-21-9)7-14-17-12-6-10(15(19)20-3)4-5-13(12)18(14)2/h4-6,8H,7H2,1-3H3
InChIKeyMPANYZCUCJIGSU-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds3

About methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate

methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate (PubChem CID 53309497) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate
PubChem CID53309497
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Namemethyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Cc1csc(C)n1)n2C
InChIInChI=1S/C15H15N3O2S/c1-9-16-11(8-21-9)7-14-17-12-6-10(15(19)20-3)4-5-13(12)18(14)2/h4-6,8H,7H2,1-3H3
InChIKeyMPANYZCUCJIGSU-UHFFFAOYSA-N
XLogP2.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate (CID 53309497) is methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(Cc1csc(C)n1)n2C.
What is the InChIKey of methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate?
The InChIKey is MPANYZCUCJIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-16-11(8-21-9)7-14-17-12-6-10(15(19)20-3)4-5-13(12)18(14)2/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate?
methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 53309497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).