1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid

C15H18N2O2 — CID 115543805

IUPAC1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CCC1CC1
InChIInChI=1S/C15H18N2O2/c1-2-13-16-14-11(15(18)19)4-3-5-12(14)17(13)9-8-10-6-7-10/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChIKeyFUGVEEICMZBHOP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid

1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid (PubChem CID 115543805) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
PubChem CID115543805
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CCC1CC1
InChIInChI=1S/C15H18N2O2/c1-2-13-16-14-11(15(18)19)4-3-5-12(14)17(13)9-8-10-6-7-10/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChIKeyFUGVEEICMZBHOP-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
CID 106304934
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole-4-carboxylic acid
CID 106432165
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
CID 115543775
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543008
1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543043
2-ethyl-1-(1,2-oxazol-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 115543951
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
2-tert-butyl-1-(cyclobutylmethyl)benzimidazole-4-carboxylic acid
CID 115543040
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid (CID 115543805) is 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid is CCc1nc2c(C(=O)O)cccc2n1CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid?
The InChIKey is FUGVEEICMZBHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-13-16-14-11(15(18)19)4-3-5-12(14)17(13)9-8-10-6-7-10/h3-5,10H,2,6-9H2,1H3,(H,18,19).
What are the key properties of 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid?
1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).