methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate

C17H16N2O2 — CID 46995977

IUPACmethyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(C)c3C)[nH]c2c1
InChIInChI=1S/C17H16N2O2/c1-10-5-4-6-13(11(10)2)16-18-14-8-7-12(17(20)21-3)9-15(14)19-16/h4-9H,1-3H3,(H,18,19)
InChIKeyOQNAOAOQVNNOCJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.63
Rot. Bonds2

About methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate

methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate (PubChem CID 46995977) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
PubChem CID46995977
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(C)c3C)[nH]c2c1
InChIInChI=1S/C17H16N2O2/c1-10-5-4-6-13(11(10)2)16-18-14-8-7-12(17(20)21-3)9-15(14)19-16/h4-9H,1-3H3,(H,18,19)
InChIKeyOQNAOAOQVNNOCJ-UHFFFAOYSA-N
XLogP3.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anthracen-1-yl-3H-benzimidazole-5-carboxylate
CID 175322054
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156357
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
2-(2,3-dimethylphenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067938
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate (CID 46995977) is methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3cccc(C)c3C)[nH]c2c1.
What is the InChIKey of methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate?
The InChIKey is OQNAOAOQVNNOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-5-4-6-13(11(10)2)16-18-14-8-7-12(17(20)21-3)9-15(14)19-16/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate?
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 46995977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).