4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide

C36H29N3O — CID 59293888

IUPAC4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2c(-c3ccc4c(c3)-c3ccccc3C4)nc(-c3ccccc3)c2C2C=CC=CC2)cc1
InChIInChI=1S/C36H29N3O/c37-35(40)27-17-15-24(16-18-27)23-39-34(26-11-5-2-6-12-26)33(25-9-3-1-4-10-25)38-36(39)30-20-19-29-21-28-13-7-8-14-31(28)32(29)22-30/h1-11,13-20,22,26H,12,21,23H2,(H2,37,40)
InChIKeyKLACVQYQOSGVIF-UHFFFAOYSA-N
MW519.65 g/mol
LogP7.54
Rot. Bonds6

About 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide

4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide (PubChem CID 59293888) has the molecular formula C36H29N3O and a molecular weight of 519.65 g/mol. Its IUPAC name is 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide
PubChem CID59293888
Molecular FormulaC36H29N3O
Molecular Weight519.65 g/mol
Exact Mass519.23
IUPAC Name4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2c(-c3ccc4c(c3)-c3ccccc3C4)nc(-c3ccccc3)c2C2C=CC=CC2)cc1
InChIInChI=1S/C36H29N3O/c37-35(40)27-17-15-24(16-18-27)23-39-34(26-11-5-2-6-12-26)33(25-9-3-1-4-10-25)38-36(39)30-20-19-29-21-28-13-7-8-14-31(28)32(29)22-30/h1-11,13-20,22,26H,12,21,23H2,(H2,37,40)
InChIKeyKLACVQYQOSGVIF-UHFFFAOYSA-N
XLogP7.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide (CID 59293888) is 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide is NC(=O)c1ccc(Cn2c(-c3ccc4c(c3)-c3ccccc3C4)nc(-c3ccccc3)c2C2C=CC=CC2)cc1.
What is the InChIKey of 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide?
The InChIKey is KLACVQYQOSGVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3O/c37-35(40)27-17-15-24(16-18-27)23-39-34(26-11-5-2-6-12-26)33(25-9-3-1-4-10-25)38-36(39)30-20-19-29-21-28-13-7-8-14-31(28)32(29)22-30/h1-11,13-20,22,26H,12,21,23H2,(H2,37,40).
What are the key properties of 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide?
4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide has a molecular weight of 519.65 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 59293888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).