1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate

C17H15N2O2- — CID 5048733

IUPAC1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate
SMILESCc1ccc(-n2c(C)nc3cc(C(=O)[O-])ccc32)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-10-4-6-15(11(2)8-10)19-12(3)18-14-9-13(17(20)21)5-7-16(14)19/h4-9H,1-3H3,(H,20,21)/p-1
InChIKeyNFKMFKQSSTZBMA-UHFFFAOYSA-M
MW279.32 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate

1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate (PubChem CID 5048733) has the molecular formula C17H15N2O2- and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate
PubChem CID5048733
Molecular FormulaC17H15N2O2-
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC Name1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate
SMILESCc1ccc(-n2c(C)nc3cc(C(=O)[O-])ccc32)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-10-4-6-15(11(2)8-10)19-12(3)18-14-9-13(17(20)21)5-7-16(14)19/h4-9H,1-3H3,(H,20,21)/p-1
InChIKeyNFKMFKQSSTZBMA-UHFFFAOYSA-M
XLogP2.31
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770415
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638237
1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63549022
methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate
CID 46835966
1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638215
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43322761
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)-2-methylbenzimidazole-5-carboxamide
CID 4564435
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 8002313

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate (CID 5048733) is 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate is Cc1ccc(-n2c(C)nc3cc(C(=O)[O-])ccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate?
The InChIKey is NFKMFKQSSTZBMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16N2O2/c1-10-4-6-15(11(2)8-10)19-12(3)18-14-9-13(17(20)21)5-7-16(14)19/h4-9H,1-3H3,(H,20,21)/p-1.
What are the key properties of 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate?
1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 5048733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).