[(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate

C22H18N2O2 — CID 13147436

IUPAC[(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate
SMILESCn1c(C(OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H18N2O2/c1-24-19-15-9-8-14-18(19)23-21(24)20(16-10-4-2-5-11-16)26-22(25)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKeyVZIVBRBWALCOGR-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.52
Rot. Bonds4

About [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate

[(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate (PubChem CID 13147436) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate.

Molecular Properties

Compound Name[(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate
PubChem CID13147436
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name[(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate
SMILESCn1c(C(OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H18N2O2/c1-24-19-15-9-8-14-18(19)23-21(24)20(16-10-4-2-5-11-16)26-22(25)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKeyVZIVBRBWALCOGR-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate?
The IUPAC name of [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate (CID 13147436) is [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate.
What is the SMILES notation for [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate?
The canonical SMILES for [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate is Cn1c(C(OC(=O)c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate?
The InChIKey is VZIVBRBWALCOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-24-19-15-9-8-14-18(19)23-21(24)20(16-10-4-2-5-11-16)26-22(25)17-12-6-3-7-13-17/h2-15,20H,1H3.
What are the key properties of [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate?
[(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate has a molecular weight of 342.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylbenzimidazol-2-yl)-phenylmethyl] benzoate is sourced from PubChem (CID 13147436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).