2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid

C15H17N3O3 — CID 115543126

IUPAC2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
SMILESCCNC(=O)Cn1c(C2CC2)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H17N3O3/c1-2-16-12(19)8-18-11-5-3-4-10(15(20)21)13(11)17-14(18)9-6-7-9/h3-5,9H,2,6-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyFOYDOQYMCQKOAY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.75
Rot. Bonds5

About 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid

2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid (PubChem CID 115543126) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
PubChem CID115543126
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
SMILESCCNC(=O)Cn1c(C2CC2)nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H17N3O3/c1-2-16-12(19)8-18-11-5-3-4-10(15(20)21)13(11)17-14(18)9-6-7-9/h3-5,9H,2,6-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyFOYDOQYMCQKOAY-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782
1-tert-butyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115542790
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
1-cyclobutyl-2-cyclopropylbenzimidazole-4-carboxylic acid
CID 115543497
1-[2-(ethylamino)-2-oxoethyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 113331892
2-cyclopropyl-1-(1-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 113485836
2-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543789

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid (CID 115543126) is 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid is CCNC(=O)Cn1c(C2CC2)nc2c(C(=O)O)cccc21.
What is the InChIKey of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid?
The InChIKey is FOYDOQYMCQKOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-16-12(19)8-18-11-5-3-4-10(15(20)21)13(11)17-14(18)9-6-7-9/h3-5,9H,2,6-8H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid?
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).