2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate

C23H19N2O3- — CID 7335397

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate
SMILESCn1c(=O)n(C)c2cc(C(C(=O)[O-])(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C23H20N2O3/c1-24-19-14-13-18(15-20(19)25(2)22(24)28)23(21(26)27,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,27)/p-1
InChIKeyMVEDIRFBALHPNP-UHFFFAOYSA-M
MW371.42 g/mol
LogP1.96
Rot. Bonds4

About 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate (PubChem CID 7335397) has the molecular formula C23H19N2O3- and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate
PubChem CID7335397
Molecular FormulaC23H19N2O3-
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate
SMILESCn1c(=O)n(C)c2cc(C(C(=O)[O-])(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C23H20N2O3/c1-24-19-14-13-18(15-20(19)25(2)22(24)28)23(21(26)27,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,27)/p-1
InChIKeyMVEDIRFBALHPNP-UHFFFAOYSA-M
XLogP1.96
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate (CID 7335397) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate is Cn1c(=O)n(C)c2cc(C(C(=O)[O-])(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate?
The InChIKey is MVEDIRFBALHPNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20N2O3/c1-24-19-14-13-18(15-20(19)25(2)22(24)28)23(21(26)27,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,26,27)/p-1.
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate has a molecular weight of 371.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,2-diphenylacetate is sourced from PubChem (CID 7335397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).