methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate

C19H15N3O2 — CID 139001927

IUPACmethyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccnc4ccccc34)n(C)c2c1
InChIInChI=1S/C19H15N3O2/c1-22-17-11-12(19(23)24-2)7-8-16(17)21-18(22)14-9-10-20-15-6-4-3-5-13(14)15/h3-11H,1-2H3
InChIKeyYGYQIBLUMJBICA-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.58
Rot. Bonds2

About methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate

methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate (PubChem CID 139001927) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate
PubChem CID139001927
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Namemethyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccnc4ccccc34)n(C)c2c1
InChIInChI=1S/C19H15N3O2/c1-22-17-11-12(19(23)24-2)7-8-16(17)21-18(22)14-9-10-20-15-6-4-3-5-13(14)15/h3-11H,1-2H3
InChIKeyYGYQIBLUMJBICA-UHFFFAOYSA-N
XLogP3.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methoxyethenyl)-1-methyl-2-naphthalen-1-ylbenzimidazole
CID 155598973
6-methoxycarbonyl-2-naphthalen-1-ylbenzimidazole-1-sulfinate
CID 155598940
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561
methyl phenazine-2-carboxylate
CID 617185
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 2-[4-(dipropylamino)butyl]-3-methylbenzimidazole-5-carboxylate
CID 67103508
methyl 3-(4-isocyanophenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 164941932
methyl 2-anthracen-9-ylpyridine-4-carboxylate
CID 170699515
methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
CID 56933238
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
4-methyl-3-quinolin-4-ylbenzamide
CID 166389470
methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961081

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate (CID 139001927) is methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3ccnc4ccccc34)n(C)c2c1.
What is the InChIKey of methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate?
The InChIKey is YGYQIBLUMJBICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-17-11-12(19(23)24-2)7-8-16(17)21-18(22)14-9-10-20-15-6-4-3-5-13(14)15/h3-11H,1-2H3.
What are the key properties of methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate?
methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-quinolin-4-ylbenzimidazole-5-carboxylate is sourced from PubChem (CID 139001927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).