N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide

C25H19N3O2 — CID 37423564

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C25H19N3O2/c29-24-22-4-2-1-3-20(22)21-10-9-19(13-23(21)24)25(30)27-14-17-5-7-18(8-6-17)15-28-12-11-26-16-28/h1-13,16H,14-15H2,(H,27,30)
InChIKeyHGIOJYCVIWLGLL-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.07
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide (PubChem CID 37423564) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
PubChem CID37423564
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C25H19N3O2/c29-24-22-4-2-1-3-20(22)21-10-9-19(13-23(21)24)25(30)27-14-17-5-7-18(8-6-17)15-28-12-11-26-16-28/h1-13,16H,14-15H2,(H,27,30)
InChIKeyHGIOJYCVIWLGLL-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 37424973
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55900128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide (CID 37423564) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
The InChIKey is HGIOJYCVIWLGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-24-22-4-2-1-3-20(22)21-10-9-19(13-23(21)24)25(30)27-14-17-5-7-18(8-6-17)15-28-12-11-26-16-28/h1-13,16H,14-15H2,(H,27,30).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 37423564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).