sodium 1-cyclopropylbenzimidazole-2-carboxylate

C11H9N2NaO2 — CID 131637596

IUPACsodium 1-cyclopropylbenzimidazole-2-carboxylate
SMILESO=C([O-])c1nc2ccccc2n1C1CC1.[Na+]
InChIInChI=1S/C11H10N2O2.Na/c14-11(15)10-12-8-3-1-2-4-9(8)13(10)7-5-6-7;/h1-4,7H,5-6H2,(H,14,15);/q;+1/p-1
InChIKeyRXGQNWHNMVLDCV-UHFFFAOYSA-M
MW224.20 g/mol
LogP-2.26
Rot. Bonds2

About sodium 1-cyclopropylbenzimidazole-2-carboxylate

sodium 1-cyclopropylbenzimidazole-2-carboxylate (PubChem CID 131637596) has the molecular formula C11H9N2NaO2 and a molecular weight of 224.20 g/mol. Its IUPAC name is sodium 1-cyclopropylbenzimidazole-2-carboxylate.

Molecular Properties

Compound Namesodium 1-cyclopropylbenzimidazole-2-carboxylate
PubChem CID131637596
Molecular FormulaC11H9N2NaO2
Molecular Weight224.20 g/mol
Exact Mass224.06
IUPAC Namesodium 1-cyclopropylbenzimidazole-2-carboxylate
SMILESO=C([O-])c1nc2ccccc2n1C1CC1.[Na+]
InChIInChI=1S/C11H10N2O2.Na/c14-11(15)10-12-8-3-1-2-4-9(8)13(10)7-5-6-7;/h1-4,7H,5-6H2,(H,14,15);/q;+1/p-1
InChIKeyRXGQNWHNMVLDCV-UHFFFAOYSA-M
XLogP-2.26
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
CID 83858260
4-fluoro-1-(oxan-4-yl)benzimidazole-2-carboxylate
CID 171145359
1-cyclopropylbenzimidazole-2-carbaldehyde;hydrate;hydrochloride
CID 86624645
1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
CID 83858201
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
2-chloro-N-[(1-cyclopropylbenzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 146089283
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
ethyl 2-(1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79472550
1-[1-(oxan-2-yl)benzimidazol-2-yl]ethanone
CID 22478048
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-3-propylurea
CID 110747246

Frequently Asked Questions

What is the IUPAC name of sodium 1-cyclopropylbenzimidazole-2-carboxylate?
The IUPAC name of sodium 1-cyclopropylbenzimidazole-2-carboxylate (CID 131637596) is sodium 1-cyclopropylbenzimidazole-2-carboxylate.
What is the SMILES notation for sodium 1-cyclopropylbenzimidazole-2-carboxylate?
The canonical SMILES for sodium 1-cyclopropylbenzimidazole-2-carboxylate is O=C([O-])c1nc2ccccc2n1C1CC1.[Na+].
What is the InChIKey of sodium 1-cyclopropylbenzimidazole-2-carboxylate?
The InChIKey is RXGQNWHNMVLDCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O2.Na/c14-11(15)10-12-8-3-1-2-4-9(8)13(10)7-5-6-7;/h1-4,7H,5-6H2,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 1-cyclopropylbenzimidazole-2-carboxylate?
sodium 1-cyclopropylbenzimidazole-2-carboxylate has a molecular weight of 224.20 g/mol, XLogP of -2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-cyclopropylbenzimidazole-2-carboxylate is sourced from PubChem (CID 131637596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).