1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid

C15H19N3O3 — CID 43552983

IUPAC1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1CCNC(C)=O
InChIInChI=1S/C15H19N3O3/c1-3-4-14-17-12-9-11(15(20)21)5-6-13(12)18(14)8-7-16-10(2)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyIBEWDJKTTCDYNU-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.82
Rot. Bonds6

About 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid

1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid (PubChem CID 43552983) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
PubChem CID43552983
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2cc(C(=O)O)ccc2n1CCNC(C)=O
InChIInChI=1S/C15H19N3O3/c1-3-4-14-17-12-9-11(15(20)21)5-6-13(12)18(14)8-7-16-10(2)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyIBEWDJKTTCDYNU-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

1-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 43566684
N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667678
1-ethyl-2-[2-(2-methylpropanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817392
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
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-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
2-propyl-1-(1,3-thiazol-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63823909
3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 82770724
2-ethyl-1-(3-propoxypropyl)benzimidazole-5-carboxylic acid
CID 82940831
1-(2-methylpropyl)-2-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817345
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-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid (CID 43552983) is 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid is CCCc1nc2cc(C(=O)O)ccc2n1CCNC(C)=O.
What is the InChIKey of 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid?
The InChIKey is IBEWDJKTTCDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-14-17-12-9-11(15(20)21)5-6-13(12)18(14)8-7-16-10(2)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 1-(2-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid?
1-(2-acetamidoethyl)-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-acetamidoethyl)-2-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43552983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).