2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid

C15H18N2O3 — CID 115543140

IUPAC2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
SMILESCCOCCn1c(C2CC2)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H18N2O3/c1-2-20-9-8-17-12-5-3-4-11(15(18)19)13(12)16-14(17)10-6-7-10/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChIKeyPDQPAVLTTLTBRY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds6

About 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid

2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid (PubChem CID 115543140) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
PubChem CID115543140
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
SMILESCCOCCn1c(C2CC2)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H18N2O3/c1-2-20-9-8-17-12-5-3-4-11(15(18)19)13(12)16-14(17)10-6-7-10/h3-5,10H,2,6-9H2,1H3,(H,18,19)
InChIKeyPDQPAVLTTLTBRY-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115543142
1-(3-ethoxypropyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332181
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid
CID 62041809
2-cyclopropyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543220
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789
1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 106240755

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid (CID 115543140) is 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid is CCOCCn1c(C2CC2)nc2c(C(=O)O)cccc21.
What is the InChIKey of 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid?
The InChIKey is PDQPAVLTTLTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-20-9-8-17-12-5-3-4-11(15(18)19)13(12)16-14(17)10-6-7-10/h3-5,10H,2,6-9H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).