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

C15H19N3O3 — CID 43566684

IUPAC1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1CC(=O)NCC
InChIInChI=1S/C15H19N3O3/c1-3-5-13-17-11-8-10(15(20)21)6-7-12(11)18(13)9-14(19)16-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyWTHFWMJCLIZNCN-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.82
Rot. Bonds6

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

1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid (PubChem CID 43566684) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
PubChem CID43566684
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1CC(=O)NCC
InChIInChI=1S/C15H19N3O3/c1-3-5-13-17-11-8-10(15(20)21)6-7-12(11)18(13)9-14(19)16-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyWTHFWMJCLIZNCN-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 82770724
2-ethyl-3-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 82790766
1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 43552983
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N-ethylacetamide
CID 43661207
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
1-ethyl-2-[2-(2-methylpropanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817392
2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63823909
2-propyl-1-(thiolan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 80584048
1-(1,3-dihydroxypropan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 65313317
1-[(4-fluorophenyl)methyl]-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 24717827

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid (CID 43566684) is 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid is CCCc1nc2cc(C(=O)O)ccc2n1CC(=O)NCC.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
The InChIKey is WTHFWMJCLIZNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-5-13-17-11-8-10(15(20)21)6-7-12(11)18(13)9-14(19)16-4-2/h6-8H,3-5,9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43566684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).