(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate

C10H10N2O3 — CID 23091994

IUPAC(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
SMILESCc1nc2cc(OC(=O)O)ccc2n1C
InChIInChI=1S/C10H10N2O3/c1-6-11-8-5-7(15-10(13)14)3-4-9(8)12(6)2/h3-5H,1-2H3,(H,13,14)
InChIKeyQXZCKAXPDLIKQN-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.94
Rot. Bonds1

About (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate

(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate (PubChem CID 23091994) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
PubChem CID23091994
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
SMILESCc1nc2cc(OC(=O)O)ccc2n1C
InChIInChI=1S/C10H10N2O3/c1-6-11-8-5-7(15-10(13)14)3-4-9(8)12(6)2/h3-5H,1-2H3,(H,13,14)
InChIKeyQXZCKAXPDLIKQN-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate (CID 23091994) is (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate is Cc1nc2cc(OC(=O)O)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate?
The InChIKey is QXZCKAXPDLIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-11-8-5-7(15-10(13)14)3-4-9(8)12(6)2/h3-5H,1-2H3,(H,13,14).
What are the key properties of (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate?
(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate has a molecular weight of 206.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 23091994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).