2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid

C16H22N4O2 — CID 151822810

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
SMILESCN(C)C1CCN(c2nc3c(C(=O)O)cccc3n2C)CC1
InChIInChI=1S/C16H22N4O2/c1-18(2)11-7-9-20(10-8-11)16-17-14-12(15(21)22)5-4-6-13(14)19(16)3/h4-6,11H,7-10H2,1-3H3,(H,21,22)
InChIKeySCZIRMNWWOCXTI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid

2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid (PubChem CID 151822810) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
PubChem CID151822810
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
SMILESCN(C)C1CCN(c2nc3c(C(=O)O)cccc3n2C)CC1
InChIInChI=1S/C16H22N4O2/c1-18(2)11-7-9-20(10-8-11)16-17-14-12(15(21)22)5-4-6-13(14)19(16)3/h4-6,11H,7-10H2,1-3H3,(H,21,22)
InChIKeySCZIRMNWWOCXTI-UHFFFAOYSA-N
XLogP1.80
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
2-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63537032
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
1-methyl-2-(4-propyl-1,4-diazepan-1-yl)benzimidazole-4-carboxamide
CID 18428216
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid (CID 151822810) is 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid is CN(C)C1CCN(c2nc3c(C(=O)O)cccc3n2C)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid?
The InChIKey is SCZIRMNWWOCXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18(2)11-7-9-20(10-8-11)16-17-14-12(15(21)22)5-4-6-13(14)19(16)3/h4-6,11H,7-10H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid?
2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid has a molecular weight of 302.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 151822810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).