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

C17H16N4O2S — CID 164614623

IUPACmethyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(Cc3csc(C)n3)c3ccccc3n12
InChIInChI=1S/C17H16N4O2S/c1-10-15(16(22)23-3)21-14-7-5-4-6-13(14)20(17(21)18-10)8-12-9-24-11(2)19-12/h4-7,9H,8H2,1-3H3
InChIKeyPKHHLFQXBXPYRC-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.20
Rot. Bonds3

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

methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 164614623) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID164614623
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Namemethyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCOC(=O)c1c(C)nc2n(Cc3csc(C)n3)c3ccccc3n12
InChIInChI=1S/C17H16N4O2S/c1-10-15(16(22)23-3)21-14-7-5-4-6-13(14)20(17(21)18-10)8-12-9-24-11(2)19-12/h4-7,9H,8H2,1-3H3
InChIKeyPKHHLFQXBXPYRC-UHFFFAOYSA-N
XLogP3.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
Methyl 2-methyl-9-propyl-9H-imidazo[1,2-A][1,3]benzimidazole-3-carboxylate
CID 761903
Methyl 2,9-dimethyl-9H-benzo[d]imidazo[1,2-a]imidazole-3-carboxylate
CID 799344
Ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032685
Ethyl 2-(1-benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 51032805
2-(2-Methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole
CID 164613556
Methyl 4-[2-(azepan-1-yl)ethyl]-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 164615425
Harmine 19a HCI
CID 164615519
N,N-diethyl-2-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 164617998
N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 164626308
methyl 2-methyl-9-[2-(piperidin-1-yl)ethyl]-9H-imidazo[1,2-a]benzimidazole-3-carboxylate
CID 799352
9H-Imidazo(1,2-a)benzimidazole-3-carboxylic acid, 9-(2-(diethylamino)ethyl)-2-methyl-, methyl ester, dihydrochloride
CID 218994

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate (CID 164614623) is methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate is COC(=O)c1c(C)nc2n(Cc3csc(C)n3)c3ccccc3n12.
What is the InChIKey of methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is PKHHLFQXBXPYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-15(16(22)23-3)21-14-7-5-4-6-13(14)20(17(21)18-10)8-12-9-24-11(2)19-12/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate?
methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 164614623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).