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

C34H30N6O2 — CID 131738272

IUPAC2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C34H30N6O2/c35-33(41)25-14-15-27-29(20-25)37-31(23-6-2-1-3-7-23)32(36-27)24-12-10-22(11-13-24)21-39-18-16-26(17-19-39)40-30-9-5-4-8-28(30)38-34(40)42/h1-15,20,26H,16-19,21H2,(H2,35,41)(H,38,42)
InChIKeyNNVQYBPATBPONU-UHFFFAOYSA-N
MW554.65 g/mol
LogP5.54
Rot. Bonds6

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

2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide (PubChem CID 131738272) has the molecular formula C34H30N6O2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide
PubChem CID131738272
Molecular FormulaC34H30N6O2
Molecular Weight554.65 g/mol
Exact Mass554.24
IUPAC Name2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C34H30N6O2/c35-33(41)25-14-15-27-29(20-25)37-31(23-6-2-1-3-7-23)32(36-27)24-12-10-22(11-13-24)21-39-18-16-26(17-19-39)40-30-9-5-4-8-28(30)38-34(40)42/h1-15,20,26H,16-19,21H2,(H2,35,41)(H,38,42)
InChIKeyNNVQYBPATBPONU-UHFFFAOYSA-N
XLogP5.54
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

Borussertib
CID 122668091
1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 9871034
3-(4-((4-(2-Oxo-2,3-dihydro-1H-benzo[D]imidazol-1-YL)piperidin-1-YL)methyl)phenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 10196532
2-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxylic acid
CID 21103197
7,9-dimethyl-11-(4-methylphenyl)-6-propylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CID 5014915
6-butyl-7,9-dimethyl-11-(4-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CID 5014916
7,9-dimethyl-11-(3-methylphenyl)-6-propylpyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(7H,9H)-dione
CID 5015183
2,3-Diphenyl-6-(1-piperidinylcarbonyl)quinoxaline
CID 1230006
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
2,3-Diphenylquinoxalin-6-yl 4-methylpiperidyl ketone
CID 3107670
Ethyl 4-(2,3-diphenylquinoxaline-6-carbonyl)piperazine-1-carboxylate
CID 3904725
N-[(3-phenylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 9969276

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide?
The IUPAC name of 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide (CID 131738272) is 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide.
What is the SMILES notation for 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide?
The canonical SMILES for 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide is NC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide?
The InChIKey is NNVQYBPATBPONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6O2/c35-33(41)25-14-15-27-29(20-25)37-31(23-6-2-1-3-7-23)32(36-27)24-12-10-22(11-13-24)21-39-18-16-26(17-19-39)40-30-9-5-4-8-28(30)38-34(40)42/h1-15,20,26H,16-19,21H2,(H2,35,41)(H,38,42).
What are the key properties of 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide?
2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide is sourced from PubChem (CID 131738272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).