2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid

C12H15N3O2 — CID 83967736

IUPAC2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
SMILESCN(C)Cc1nc2ccc(C(=O)O)cc2n1C
InChIInChI=1S/C12H15N3O2/c1-14(2)7-11-13-9-5-4-8(12(16)17)6-10(9)15(11)3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyWRFYGOBNCQVZKU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.33
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid

2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid (PubChem CID 83967736) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
PubChem CID83967736
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
SMILESCN(C)Cc1nc2ccc(C(=O)O)cc2n1C
InChIInChI=1S/C12H15N3O2/c1-14(2)7-11-13-9-5-4-8(12(16)17)6-10(9)15(11)3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyWRFYGOBNCQVZKU-UHFFFAOYSA-N
XLogP1.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-[(dimethylamino)methyl]-1-methylindole-5-carboxylic acid
CID 117176930
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
2-acetyl-3-methylbenzimidazole-5-carboxylic acid
CID 84622776
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18733884
3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
CID 82790905
2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carboxylic acid
CID 141031470
3-[3-(dimethylamino)propyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769309
3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
CID 84637569
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid (CID 83967736) is 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid is CN(C)Cc1nc2ccc(C(=O)O)cc2n1C.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid?
The InChIKey is WRFYGOBNCQVZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(2)7-11-13-9-5-4-8(12(16)17)6-10(9)15(11)3/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid?
2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 83967736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).