3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid

C15H19N3O2 — CID 84641963

IUPAC3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCn1c(CC2CCCCN2)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19N3O2/c1-18-13-8-10(15(19)20)5-6-12(13)17-14(18)9-11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyRGFHVONQLZUISH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.96
Rot. Bonds3

About 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid

3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 84641963) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID84641963
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCn1c(CC2CCCCN2)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19N3O2/c1-18-13-8-10(15(19)20)5-6-12(13)17-14(18)9-11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,19,20)
InChIKeyRGFHVONQLZUISH-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 83967736
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
CID 106003502
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 84641963) is 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid is Cn1c(CC2CCCCN2)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is RGFHVONQLZUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-13-8-10(15(19)20)5-6-12(13)17-14(18)9-11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,19,20).
What are the key properties of 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid?
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 84641963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).