9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate

C22H16N2O2 — CID 175850253

IUPAC9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C22H16N2O2/c25-22(24-14-23-20-11-5-6-12-21(20)24)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,14,19H,13H2
InChIKeyAODWIAMLRHPXRG-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.83
Rot. Bonds2

About 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate

9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate (PubChem CID 175850253) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate
PubChem CID175850253
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C22H16N2O2/c25-22(24-14-23-20-11-5-6-12-21(20)24)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,14,19H,13H2
InChIKeyAODWIAMLRHPXRG-UHFFFAOYSA-N
XLogP4.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate (CID 175850253) is 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)n1cnc2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate?
The InChIKey is AODWIAMLRHPXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(24-14-23-20-11-5-6-12-21(20)24)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,14,19H,13H2.
What are the key properties of 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate?
9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl benzimidazole-1-carboxylate is sourced from PubChem (CID 175850253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).