1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one

C40H43N5O2 — CID 18333576

IUPAC1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one
SMILESO=C(c1nc2ccccc2n1Cc1ccccn1)C1CCN(CCC2(Cc3ccccc3)CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C40H43N5O2/c46-37(38-42-35-17-7-8-18-36(35)45(38)30-34-16-9-10-23-41-34)33-19-25-43(26-20-33)27-22-40(28-31-12-3-1-4-13-31)21-11-24-44(39(40)47)29-32-14-5-2-6-15-32/h1-10,12-18,23,33H,11,19-22,24-30H2
InChIKeyFOSLBHZHBJYAHK-UHFFFAOYSA-N
MW625.82 g/mol
LogP6.82
Rot. Bonds11

About 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one

1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one (PubChem CID 18333576) has the molecular formula C40H43N5O2 and a molecular weight of 625.82 g/mol. Its IUPAC name is 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one
PubChem CID18333576
Molecular FormulaC40H43N5O2
Molecular Weight625.82 g/mol
Exact Mass625.34
IUPAC Name1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one
SMILESO=C(c1nc2ccccc2n1Cc1ccccn1)C1CCN(CCC2(Cc3ccccc3)CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C40H43N5O2/c46-37(38-42-35-17-7-8-18-36(35)45(38)30-34-16-9-10-23-41-34)33-19-25-43(26-20-33)27-22-40(28-31-12-3-1-4-13-31)21-11-24-44(39(40)47)29-32-14-5-2-6-15-32/h1-10,12-18,23,33H,11,19-22,24-30H2
InChIKeyFOSLBHZHBJYAHK-UHFFFAOYSA-N
XLogP6.82
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one with MolForge

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Related Compounds

[1-[2-[1-benzoyl-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methanone
CID 18333538
[1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidin-3-yl]ethyl]piperidin-4-yl]-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methanone
CID 18333423
[1-[2-[3-(4-methoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methanone
CID 10190413
1-[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 18333336
3-[(4-fluorophenyl)methyl]-3-[2-[4-[5-[(1E,3E)-penta-1,3-dienyl]-1-(pyridin-2-ylmethyl)imidazole-2-carbonyl]piperidin-1-yl]ethyl]-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 20712215
1,3-dibenzyl-3-[2-[4-[[1-(furan-3-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54427045
1,3-dibenzyl-3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54249979
3-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]-3-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 18333239
5-[4-[1-(4-cyanobutyl)benzimidazole-2-carbonyl]piperidin-1-yl]pentanenitrile
CID 18946515
(3S)-1-benzyl-3-methyl-3-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]azepan-2-one
CID 95832138
[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-[1-[2-[3-pyridin-3-yl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]methanone
CID 15542678
3-[2-[4-[1H-benzimidazol-2-yl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethyl]-3-[(4-methoxyphenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 22009340

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one (CID 18333576) is 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one is O=C(c1nc2ccccc2n1Cc1ccccn1)C1CCN(CCC2(Cc3ccccc3)CCCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one?
The InChIKey is FOSLBHZHBJYAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43N5O2/c46-37(38-42-35-17-7-8-18-36(35)45(38)30-34-16-9-10-23-41-34)33-19-25-43(26-20-33)27-22-40(28-31-12-3-1-4-13-31)21-11-24-44(39(40)47)29-32-14-5-2-6-15-32/h1-10,12-18,23,33H,11,19-22,24-30H2.
What are the key properties of 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one?
1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one has a molecular weight of 625.82 g/mol, XLogP of 6.82, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 18333576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).