2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C28H34N6OS — CID 14013047

IUPAC2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(Cc3nc4ccccc4n3Cc3cscn3)CC1)CCCC2
InChIInChI=1S/C28H34N6OS/c1-20-23(28(35)33-12-5-4-8-26(33)30-20)11-15-32-13-9-21(10-14-32)16-27-31-24-6-2-3-7-25(24)34(27)17-22-18-36-19-29-22/h2-3,6-7,18-19,21H,4-5,8-17H2,1H3
InChIKeyIILJUTMJYKJEJM-UHFFFAOYSA-N
MW502.69 g/mol
LogP4.24
Rot. Bonds7

About 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 14013047) has the molecular formula C28H34N6OS and a molecular weight of 502.69 g/mol. Its IUPAC name is 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID14013047
Molecular FormulaC28H34N6OS
Molecular Weight502.69 g/mol
Exact Mass502.25
IUPAC Name2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(Cc3nc4ccccc4n3Cc3cscn3)CC1)CCCC2
InChIInChI=1S/C28H34N6OS/c1-20-23(28(35)33-12-5-4-8-26(33)30-20)11-15-32-13-9-21(10-14-32)16-27-31-24-6-2-3-7-25(24)34(27)17-22-18-36-19-29-22/h2-3,6-7,18-19,21H,4-5,8-17H2,1H3
InChIKeyIILJUTMJYKJEJM-UHFFFAOYSA-N
XLogP4.24
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-[4-[[1-[(4-fluorophenyl)methyl]-6-hydroxybenzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14013127
2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 71096716
bis(4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole);oxaldehyde
CID 173410501
3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 15057460
2-methyl-3-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 58356968
3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 50943495
2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
CID 15037404
ethyl N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]carbamate
CID 54560820
3-[2-[4-[(2,4-difluorophenyl)-nitrosomethyl]piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 90821895
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine;oxalic acid
CID 67895676
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-1-methylimidazol-2-amine
CID 14013278
3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 50943496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 14013047) is 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCN1CCC(Cc3nc4ccccc4n3Cc3cscn3)CC1)CCCC2.
What is the InChIKey of 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IILJUTMJYKJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6OS/c1-20-23(28(35)33-12-5-4-8-26(33)30-20)11-15-32-13-9-21(10-14-32)16-27-31-24-6-2-3-7-25(24)34(27)17-22-18-36-19-29-22/h2-3,6-7,18-19,21H,4-5,8-17H2,1H3.
What are the key properties of 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 502.69 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 14013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).