6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid

C18H18N4O4 — CID 118760384

IUPAC6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid
SMILESCOCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)O)c21
InChIInChI=1S/C18H18N4O4/c1-11(23)20-12-9-13(18(24)25)16-15(10-12)21-17(22(16)7-8-26-2)14-5-3-4-6-19-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyJIMUQETVEUXESV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.40
Rot. Bonds6

About 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid

6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid (PubChem CID 118760384) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid
PubChem CID118760384
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid
SMILESCOCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)O)c21
InChIInChI=1S/C18H18N4O4/c1-11(23)20-12-9-13(18(24)25)16-15(10-12)21-17(22(16)7-8-26-2)14-5-3-4-6-19-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyJIMUQETVEUXESV-UHFFFAOYSA-N
XLogP2.40
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid (CID 118760384) is 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid is COCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)O)c21.
What is the InChIKey of 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid?
The InChIKey is JIMUQETVEUXESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11(23)20-12-9-13(18(24)25)16-15(10-12)21-17(22(16)7-8-26-2)14-5-3-4-6-19-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid?
6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 118760384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).