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

C33H29N5 — CID 51049790

IUPAC2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C33H29N5/c1-2-8-24(9-3-1)31-32(35-28-11-5-4-10-27(28)34-31)25-16-14-23(15-17-25)22-38-20-18-26(19-21-38)33-36-29-12-6-7-13-30(29)37-33/h1-17,26H,18-22H2,(H,36,37)
InChIKeyAIOUPQPASMPERR-UHFFFAOYSA-N
MW495.63 g/mol
LogP7.22
Rot. Bonds5

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

2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline (PubChem CID 51049790) has the molecular formula C33H29N5 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
PubChem CID51049790
Molecular FormulaC33H29N5
Molecular Weight495.63 g/mol
Exact Mass495.24
IUPAC Name2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C33H29N5/c1-2-8-24(9-3-1)31-32(35-28-11-5-4-10-27(28)34-31)25-16-14-23(15-17-25)22-38-20-18-26(19-21-38)33-36-29-12-6-7-13-30(29)37-33/h1-17,26H,18-22H2,(H,36,37)
InChIKeyAIOUPQPASMPERR-UHFFFAOYSA-N
XLogP7.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
N-[2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxalin-6-yl]methanesulfonamide
CID 10312197
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 42530326
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline?
The IUPAC name of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline (CID 51049790) is 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline?
The canonical SMILES for 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline?
The InChIKey is AIOUPQPASMPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5/c1-2-8-24(9-3-1)31-32(35-28-11-5-4-10-27(28)34-31)25-16-14-23(15-17-25)22-38-20-18-26(19-21-38)33-36-29-12-6-7-13-30(29)37-33/h1-17,26H,18-22H2,(H,36,37).
What are the key properties of 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline?
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline has a molecular weight of 495.63 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 51049790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).