5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one

C42H54N6O5 — CID 170068943

IUPAC5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one
SMILESC=C1NC(=O)CCC1n1c(=O)n(C)c2cc(CN3CCC(C4CCN(Cc5c(OC)cc(-c6cn(C)c(=O)c(C)c6C)cc5OC)CC4)CC3)ccc21
InChIInChI=1S/C42H54N6O5/c1-26-27(2)41(50)44(4)24-33(26)32-21-38(52-6)34(39(22-32)53-7)25-47-18-14-31(15-19-47)30-12-16-46(17-13-30)23-29-8-9-36-37(20-29)45(5)42(51)48(36)35-10-11-40(49)43-28(35)3/h8-9,20-22,24,30-31,35H,3,10-19,23,25H2,1-2,4-7H3,(H,43,49)
InChIKeyHWNHDFAOCKCQBV-UHFFFAOYSA-N
MW722.93 g/mol
LogP5.43
Rot. Bonds9

About 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one

5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one (PubChem CID 170068943) has the molecular formula C42H54N6O5 and a molecular weight of 722.93 g/mol. Its IUPAC name is 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one
PubChem CID170068943
Molecular FormulaC42H54N6O5
Molecular Weight722.93 g/mol
Exact Mass722.42
IUPAC Name5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one
SMILESC=C1NC(=O)CCC1n1c(=O)n(C)c2cc(CN3CCC(C4CCN(Cc5c(OC)cc(-c6cn(C)c(=O)c(C)c6C)cc5OC)CC4)CC3)ccc21
InChIInChI=1S/C42H54N6O5/c1-26-27(2)41(50)44(4)24-33(26)32-21-38(52-6)34(39(22-32)53-7)25-47-18-14-31(15-19-47)30-12-16-46(17-13-30)23-29-8-9-36-37(20-29)45(5)42(51)48(36)35-10-11-40(49)43-28(35)3/h8-9,20-22,24,30-31,35H,3,10-19,23,25H2,1-2,4-7H3,(H,43,49)
InChIKeyHWNHDFAOCKCQBV-UHFFFAOYSA-N
XLogP5.43
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one 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

3-[5-[1-[7-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168931866
3-[4-[3-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]oxyprop-1-ynyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168931828
1-[6-[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-fluoro-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
CID 164719915
3-[4-[4-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 158176327
3-[3-fluoro-4-[4-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]anilino]piperidine-2,6-dione
CID 164719980
3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168931864
3-[[4-[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione
CID 164964337
(3S)-3-[[4-[4-[(4R)-1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione
CID 164964338
5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
CID 175868074
3-[4-[4-[(4S)-1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 167510614
3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166472201
3-[6-[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 168931863

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one?
The IUPAC name of 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one (CID 170068943) is 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one.
What is the SMILES notation for 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one?
The canonical SMILES for 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one is C=C1NC(=O)CCC1n1c(=O)n(C)c2cc(CN3CCC(C4CCN(Cc5c(OC)cc(-c6cn(C)c(=O)c(C)c6C)cc5OC)CC4)CC3)ccc21.
What is the InChIKey of 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one?
The InChIKey is HWNHDFAOCKCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N6O5/c1-26-27(2)41(50)44(4)24-33(26)32-21-38(52-6)34(39(22-32)53-7)25-47-18-14-31(15-19-47)30-12-16-46(17-13-30)23-29-8-9-36-37(20-29)45(5)42(51)48(36)35-10-11-40(49)43-28(35)3/h8-9,20-22,24,30-31,35H,3,10-19,23,25H2,1-2,4-7H3,(H,43,49).
What are the key properties of 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one?
5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one has a molecular weight of 722.93 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]methyl]-3-methyl-1-(2-methylidene-6-oxopiperidin-3-yl)benzimidazol-2-one is sourced from PubChem (CID 170068943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).