4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide

C29H24N4O3 — CID 44530598

IUPAC4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)CNC(=O)c5ccc(O)cc5)c4)c3)nc12
InChIInChI=1S/C29H24N4O3/c1-18-5-2-10-25-27(18)33-28(32-25)22-8-3-6-20(15-22)21-7-4-9-23(16-21)31-26(35)17-30-29(36)19-11-13-24(34)14-12-19/h2-16,34H,17H2,1H3,(H,30,36)(H,31,35)(H,32,33)
InChIKeyZIJDNLBZMHPUPU-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.28
Rot. Bonds6

About 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide

4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide (PubChem CID 44530598) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide
PubChem CID44530598
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)CNC(=O)c5ccc(O)cc5)c4)c3)nc12
InChIInChI=1S/C29H24N4O3/c1-18-5-2-10-25-27(18)33-28(32-25)22-8-3-6-20(15-22)21-7-4-9-23(16-21)31-26(35)17-30-29(36)19-11-13-24(34)14-12-19/h2-16,34H,17H2,1H3,(H,30,36)(H,31,35)(H,32,33)
InChIKeyZIJDNLBZMHPUPU-UHFFFAOYSA-N
XLogP5.28
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide (CID 44530598) is 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide is Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)CNC(=O)c5ccc(O)cc5)c4)c3)nc12.
What is the InChIKey of 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is ZIJDNLBZMHPUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-18-5-2-10-25-27(18)33-28(32-25)22-8-3-6-20(15-22)21-7-4-9-23(16-21)31-26(35)17-30-29(36)19-11-13-24(34)14-12-19/h2-16,34H,17H2,1H3,(H,30,36)(H,31,35)(H,32,33).
What are the key properties of 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide?
4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 476.54 g/mol, XLogP of 5.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 44530598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).