benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate

C24H18N2O2 — CID 19980892

IUPACbenzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cncn1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H18N2O2/c27-24(28-15-17-8-2-1-3-9-17)22-14-25-16-26(22)23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h1-14,16,23H,15H2
InChIKeyMYDAOWUTOFUYKC-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.86
Rot. Bonds4

About benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate

benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate (PubChem CID 19980892) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate
PubChem CID19980892
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Namebenzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cncn1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H18N2O2/c27-24(28-15-17-8-2-1-3-9-17)22-14-25-16-26(22)23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h1-14,16,23H,15H2
InChIKeyMYDAOWUTOFUYKC-UHFFFAOYSA-N
XLogP4.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate?
The IUPAC name of benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate (CID 19980892) is benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate.
What is the SMILES notation for benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate?
The canonical SMILES for benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate is O=C(OCc1ccccc1)c1cncn1C1c2ccccc2-c2ccccc21.
What is the InChIKey of benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate?
The InChIKey is MYDAOWUTOFUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24(28-15-17-8-2-1-3-9-17)22-14-25-16-26(22)23-20-12-6-4-10-18(20)19-11-5-7-13-21(19)23/h1-14,16,23H,15H2.
What are the key properties of benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate?
benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate is sourced from PubChem (CID 19980892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).