2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid

C15H17N3O3 — CID 43566686

IUPAC2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
SMILESCCNC(=O)Cn1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H17N3O3/c1-2-16-13(19)8-18-12-6-5-10(15(20)21)7-11(12)17-14(18)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,16,19)(H,20,21)
InChIKeyKWMMVWFWKJTWQJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.75
Rot. Bonds5

About 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid

2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid (PubChem CID 43566686) 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-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
PubChem CID43566686
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
SMILESCCNC(=O)Cn1c(C2CC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H17N3O3/c1-2-16-13(19)8-18-12-6-5-10(15(20)21)7-11(12)17-14(18)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,16,19)(H,20,21)
InChIKeyKWMMVWFWKJTWQJ-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid (CID 43566686) is 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid is CCNC(=O)Cn1c(C2CC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
The InChIKey is KWMMVWFWKJTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-16-13(19)8-18-12-6-5-10(15(20)21)7-11(12)17-14(18)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid?
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-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-5-carboxylic acid is sourced from PubChem (CID 43566686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).