2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid

C16H21N3O2 — CID 82773918

IUPAC2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
SMILESCC(Cn1c(C2CC2)nc2ccc(C(=O)O)cc21)N(C)C
InChIInChI=1S/C16H21N3O2/c1-10(18(2)3)9-19-14-8-12(16(20)21)6-7-13(14)17-15(19)11-4-5-11/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyZBRPVTXFIZPZRE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds5

About 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid

2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid (PubChem CID 82773918) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
PubChem CID82773918
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
SMILESCC(Cn1c(C2CC2)nc2ccc(C(=O)O)cc21)N(C)C
InChIInChI=1S/C16H21N3O2/c1-10(18(2)3)9-19-14-8-12(16(20)21)6-7-13(14)17-15(19)11-4-5-11/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyZBRPVTXFIZPZRE-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
CID 82790323
2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
CID 82773778
2-cyclopropyl-3-(2-methylsulfanylethyl)benzimidazole-5-carboxylic acid
CID 82790482
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 82488604
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
2-cyclopropyl-1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463466
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid (CID 82773918) is 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid is CC(Cn1c(C2CC2)nc2ccc(C(=O)O)cc21)N(C)C.
What is the InChIKey of 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid?
The InChIKey is ZBRPVTXFIZPZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(18(2)3)9-19-14-8-12(16(20)21)6-7-13(14)17-15(19)11-4-5-11/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21).
What are the key properties of 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid?
2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).