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

C34H31N5O — CID 51049798

IUPAC2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
SMILESCOc1ccc2nc(-c3ccc(CN4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C34H31N5O/c1-40-27-15-16-30-31(21-27)36-32(24-7-3-2-4-8-24)33(35-30)25-13-11-23(12-14-25)22-39-19-17-26(18-20-39)34-37-28-9-5-6-10-29(28)38-34/h2-16,21,26H,17-20,22H2,1H3,(H,37,38)
InChIKeyILWVKGPVSJOLOP-UHFFFAOYSA-N
MW525.66 g/mol
LogP7.23
Rot. Bonds6

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

2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline (PubChem CID 51049798) has the molecular formula C34H31N5O and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
PubChem CID51049798
Molecular FormulaC34H31N5O
Molecular Weight525.66 g/mol
Exact Mass525.25
IUPAC Name2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
SMILESCOc1ccc2nc(-c3ccc(CN4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C34H31N5O/c1-40-27-15-16-30-31(21-27)36-32(24-7-3-2-4-8-24)33(35-30)25-13-11-23(12-14-25)22-39-19-17-26(18-20-39)34-37-28-9-5-6-10-29(28)38-34/h2-16,21,26H,17-20,22H2,1H3,(H,37,38)
InChIKeyILWVKGPVSJOLOP-UHFFFAOYSA-N
XLogP7.23
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
N-[2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxalin-6-yl]methanesulfonamide
CID 10312197
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 146087786
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
CID 108776236
2-benzyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299300
5-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 87801453
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
6-fluoro-2-[1-[[4-[6-fluoro-5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 11432755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline?
The IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline (CID 51049798) is 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline?
The canonical SMILES for 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline is COc1ccc2nc(-c3ccc(CN4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline?
The InChIKey is ILWVKGPVSJOLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N5O/c1-40-27-15-16-30-31(21-27)36-32(24-7-3-2-4-8-24)33(35-30)25-13-11-23(12-14-25)22-39-19-17-26(18-20-39)34-37-28-9-5-6-10-29(28)38-34/h2-16,21,26H,17-20,22H2,1H3,(H,37,38).
What are the key properties of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline?
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline has a molecular weight of 525.66 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline is sourced from PubChem (CID 51049798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).