1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

C22H23N5OS — CID 54028630

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESCN1CCCC(Cn2ccc(-c3ccc4c(c3)ncn4-c3ccsc3)nc2=O)C1
InChIInChI=1S/C22H23N5OS/c1-25-8-2-3-16(12-25)13-26-9-6-19(24-22(26)28)17-4-5-21-20(11-17)23-15-27(21)18-7-10-29-14-18/h4-7,9-11,14-16H,2-3,8,12-13H2,1H3
InChIKeyLDZMWLJMROUJPJ-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.65
Rot. Bonds4

About 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (PubChem CID 54028630) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
PubChem CID54028630
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESCN1CCCC(Cn2ccc(-c3ccc4c(c3)ncn4-c3ccsc3)nc2=O)C1
InChIInChI=1S/C22H23N5OS/c1-25-8-2-3-16(12-25)13-26-9-6-19(24-22(26)28)17-4-5-21-20(11-17)23-15-27(21)18-7-10-29-14-18/h4-7,9-11,14-16H,2-3,8,12-13H2,1H3
InChIKeyLDZMWLJMROUJPJ-UHFFFAOYSA-N
XLogP3.65
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one with MolForge

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Related Compounds

1-ethyl-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414229
1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414206
1-azabicyclo[3.1.0]hexane;1-ethyl-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyridin-2-one
CID 18414265
4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one
CID 5329411
6-(1-thiophen-3-ylbenzimidazol-5-yl)-1H-pyrimidin-2-one
CID 57223334
1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
CID 18414257
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine
CID 30936152
8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 143716882
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (CID 54028630) is 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is CN1CCCC(Cn2ccc(-c3ccc4c(c3)ncn4-c3ccsc3)nc2=O)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The InChIKey is LDZMWLJMROUJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-25-8-2-3-16(12-25)13-26-9-6-19(24-22(26)28)17-4-5-21-20(11-17)23-15-27(21)18-7-10-29-14-18/h4-7,9-11,14-16H,2-3,8,12-13H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one has a molecular weight of 405.53 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is sourced from PubChem (CID 54028630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).