4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide

C24H19N3O3 — CID 56547552

IUPAC4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c1-15-14-25-24(29)27(15)17-12-10-16(11-13-17)23(28)26-22-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)22/h2-14,22H,1H3,(H,25,29)(H,26,28)
InChIKeyVXGPIQPKGQMSHG-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.10
Rot. Bonds3

About 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide (PubChem CID 56547552) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide
PubChem CID56547552
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c1-15-14-25-24(29)27(15)17-12-10-16(11-13-17)23(28)26-22-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)22/h2-14,22H,1H3,(H,25,29)(H,26,28)
InChIKeyVXGPIQPKGQMSHG-UHFFFAOYSA-N
XLogP4.10
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide?
The IUPAC name of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide (CID 56547552) is 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide is Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide?
The InChIKey is VXGPIQPKGQMSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-15-14-25-24(29)27(15)17-12-10-16(11-13-17)23(28)26-22-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)22/h2-14,22H,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide?
4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide has a molecular weight of 397.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(9H-xanthen-9-yl)benzamide is sourced from PubChem (CID 56547552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).