2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one

C24H26N6O — CID 3065666

IUPAC2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C24H26N6O/c1-28(23-25-14-11-22(31)27-23)19-12-15-29(16-13-19)24-26-20-9-5-6-10-21(20)30(24)17-18-7-3-2-4-8-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,25,27,31)
InChIKeyKMCSWUCZWAUAIX-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.27
Rot. Bonds5

About 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one

2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one (PubChem CID 3065666) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
PubChem CID3065666
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C24H26N6O/c1-28(23-25-14-11-22(31)27-23)19-12-15-29(16-13-19)24-26-20-9-5-6-10-21(20)30(24)17-18-7-3-2-4-8-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,25,27,31)
InChIKeyKMCSWUCZWAUAIX-UHFFFAOYSA-N
XLogP3.27
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[1-[1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 3065676
2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 176915310
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135463961
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-5-[[2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxo-1H-pyrimidin-5-yl]methyl]-1H-pyrimidin-6-one
CID 175674931
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxopyrimidine-1-carboxamide
CID 123348502
2-[[1-[1-[(4-fluorophenyl)methyl]-6-(2,3,7,8-tetrafluorothianthren-5-ium-5-yl)benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
CID 162424487
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-3-(2,2,3,3-tetramethylbutanoyl)pyrimidin-4-one
CID 130218232
3-(cyclohexanecarbonyl)-2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]pyrimidin-4-one
CID 58579319
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 45269436
N'-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45272890
[2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxopyrimidin-1-yl]methyl 2,2-dimethylpropanoate
CID 58096707
[2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxopyrimidin-1-yl]methyl butanoate
CID 50906602

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one (CID 3065666) is 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one is CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one?
The InChIKey is KMCSWUCZWAUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-28(23-25-14-11-22(31)27-23)19-12-15-29(16-13-19)24-26-20-9-5-6-10-21(20)30(24)17-18-7-3-2-4-8-18/h2-11,14,19H,12-13,15-17H2,1H3,(H,25,27,31).
What are the key properties of 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one?
2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one has a molecular weight of 414.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 3065666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).