2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one

C25H28N6O — CID 176915310

IUPAC2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cn1c(N2CCC(N(C)c3nccc(=O)[nH]3)CC2)nc2ccccc21
InChIInChI=1S/C25H28N6O/c1-18-7-3-4-8-19(18)17-31-22-10-6-5-9-21(22)27-25(31)30-15-12-20(13-16-30)29(2)24-26-14-11-23(32)28-24/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,28,32)
InChIKeyWKXOOBLSQBGVPR-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.58
Rot. Bonds5

About 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one

2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 176915310) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID176915310
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cn1c(N2CCC(N(C)c3nccc(=O)[nH]3)CC2)nc2ccccc21
InChIInChI=1S/C25H28N6O/c1-18-7-3-4-8-19(18)17-31-22-10-6-5-9-21(22)27-25(31)30-15-12-20(13-16-30)29(2)24-26-14-11-23(32)28-24/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,28,32)
InChIKeyWKXOOBLSQBGVPR-UHFFFAOYSA-N
XLogP3.58
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
CID 3065666
2-[methyl-[1-[1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 3065676
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
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
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
[2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxopyrimidin-1-yl]methyl 2,2-dimethylpropanoate
CID 58096707

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one (CID 176915310) is 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one is Cc1ccccc1Cn1c(N2CCC(N(C)c3nccc(=O)[nH]3)CC2)nc2ccccc21.
What is the InChIKey of 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is WKXOOBLSQBGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-18-7-3-4-8-19(18)17-31-22-10-6-5-9-21(22)27-25(31)30-15-12-20(13-16-30)29(2)24-26-14-11-23(32)28-24/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,28,32).
What are the key properties of 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one?
2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 428.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 176915310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).