1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid

C14H17N3O2 — CID 114137775

IUPAC1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCN1CCCC1Cn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C14H17N3O2/c1-16-7-3-4-10(16)8-17-9-15-13-11(14(18)19)5-2-6-12(13)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyNXSLOXBMMMJDSS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds3

About 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid

1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid (PubChem CID 114137775) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
PubChem CID114137775
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
SMILESCN1CCCC1Cn1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C14H17N3O2/c1-16-7-3-4-10(16)8-17-9-15-13-11(14(18)19)5-2-6-12(13)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19)
InChIKeyNXSLOXBMMMJDSS-UHFFFAOYSA-N
XLogP1.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820
1-[[2-(hydroxymethyl)cyclohexyl]methyl]benzimidazole-4-carboxylic acid
CID 115543824
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
1-(5-amino-5-oxopentyl)benzimidazole-4-carboxylic acid
CID 114162760
1-[(1-methylimidazol-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543615
1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazole-4-carboxylic acid
CID 115543563
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid (CID 114137775) is 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid is CN1CCCC1Cn1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid?
The InChIKey is NXSLOXBMMMJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-7-3-4-10(16)8-17-9-15-13-11(14(18)19)5-2-6-12(13)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,18,19).
What are the key properties of 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid?
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 114137775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).