2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide

C35H31N5O2 — CID 171681249

IUPAC2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)cc1
InChIInChI=1S/C35H31N5O2/c41-34(23-39-24-36-30-10-4-5-12-32(30)39)37-28-15-13-25(14-16-28)26-17-20-38(21-18-26)35(42)29-22-33(27-8-2-1-3-9-27)40-19-7-6-11-31(29)40/h1-16,19,22,24,26H,17-18,20-21,23H2,(H,37,41)
InChIKeyYSARWXZCKLXBHZ-UHFFFAOYSA-N
MW553.67 g/mol
LogP6.61
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide (PubChem CID 171681249) has the molecular formula C35H31N5O2 and a molecular weight of 553.67 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide
PubChem CID171681249
Molecular FormulaC35H31N5O2
Molecular Weight553.67 g/mol
Exact Mass553.25
IUPAC Name2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccc(C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)cc1
InChIInChI=1S/C35H31N5O2/c41-34(23-39-24-36-30-10-4-5-12-32(30)39)37-28-15-13-25(14-16-28)26-17-20-38(21-18-26)35(42)29-22-33(27-8-2-1-3-9-27)40-19-7-6-11-31(29)40/h1-16,19,22,24,26H,17-18,20-21,23H2,(H,37,41)
InChIKeyYSARWXZCKLXBHZ-UHFFFAOYSA-N
XLogP6.61
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-[4-[1-[4-(dimethylamino)-3,5-difluorobenzoyl]piperidin-4-yl]phenyl]acetamide
CID 171698591
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 42291468
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
ethyl 2-fluoro-3-[4-[4-[[2-(4-fluoroindol-1-yl)acetyl]amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171681792
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(benzimidazol-1-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 121090100
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
N-(4-hydroxyphenyl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 47021714
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide (CID 171681249) is 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide is O=C(Cn1cnc2ccccc21)Nc1ccc(C2CCN(C(=O)c3cc(-c4ccccc4)n4ccccc34)CC2)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide?
The InChIKey is YSARWXZCKLXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5O2/c41-34(23-39-24-36-30-10-4-5-12-32(30)39)37-28-15-13-25(14-16-28)26-17-20-38(21-18-26)35(42)29-22-33(27-8-2-1-3-9-27)40-19-7-6-11-31(29)40/h1-16,19,22,24,26H,17-18,20-21,23H2,(H,37,41).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide has a molecular weight of 553.67 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-[1-(3-phenylindolizine-1-carbonyl)piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 171681249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).