3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid

C34H29N5O3 — CID 10196532

IUPAC3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1
InChIInChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
InChIKeyDNNVPDHNAOWAES-UHFFFAOYSA-N
MW555.64 g/mol
LogP6.14
Rot. Bonds6

About 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid

3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 10196532) has the molecular formula C34H29N5O3 and a molecular weight of 555.64 g/mol. Its IUPAC name is 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid
PubChem CID10196532
Molecular FormulaC34H29N5O3
Molecular Weight555.64 g/mol
Exact Mass555.23
IUPAC Name3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1
InChIInChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
InChIKeyDNNVPDHNAOWAES-UHFFFAOYSA-N
XLogP6.14
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid (CID 10196532) is 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1.
What is the InChIKey of 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is DNNVPDHNAOWAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41).
What are the key properties of 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid?
3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 555.64 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 10196532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).