2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid

C16H19N3O2 — CID 115543220

IUPAC2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1CCC(n2c(C3CC3)nc3c(C(=O)O)cccc32)C1
InChIInChI=1S/C16H19N3O2/c1-18-8-7-11(9-18)19-13-4-2-3-12(16(20)21)14(13)17-15(19)10-5-6-10/h2-4,10-11H,5-9H2,1H3,(H,20,21)
InChIKeyNEEPIJRBUDLDDK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.49
Rot. Bonds3

About 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid

2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543220) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
PubChem CID115543220
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
SMILESCN1CCC(n2c(C3CC3)nc3c(C(=O)O)cccc32)C1
InChIInChI=1S/C16H19N3O2/c1-18-8-7-11(9-18)19-13-4-2-3-12(16(20)21)14(13)17-15(19)10-5-6-10/h2-4,10-11H,5-9H2,1H3,(H,20,21)
InChIKeyNEEPIJRBUDLDDK-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
2-chloro-1-cyclopropylbenzimidazole-4-carboxylic acid
CID 83842366
1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
1-[(1-methylpyrrolidin-3-yl)methyl]benzotriazole-4-carboxylic acid
CID 113331949

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid (CID 115543220) is 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid is CN1CCC(n2c(C3CC3)nc3c(C(=O)O)cccc32)C1.
What is the InChIKey of 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is NEEPIJRBUDLDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-8-7-11(9-18)19-13-4-2-3-12(16(20)21)14(13)17-15(19)10-5-6-10/h2-4,10-11H,5-9H2,1H3,(H,20,21).
What are the key properties of 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).