2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C19H23N5O — CID 136782835

IUPAC2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc(=O)[nH]1
InChIInChI=1S/C19H23N5O/c1-13-20-16(10-19(25)21-13)14-6-5-9-24(11-14)12-18-22-15-7-3-4-8-17(15)23(18)2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,20,21,25)/t14-/m1/s1
InChIKeySNXLPYQJBHJHNE-CQSZACIVSA-N
MW337.43 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136782835) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136782835
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc(=O)[nH]1
InChIInChI=1S/C19H23N5O/c1-13-20-16(10-19(25)21-13)14-6-5-9-24(11-14)12-18-22-15-7-3-4-8-17(15)23(18)2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,20,21,25)/t14-/m1/s1
InChIKeySNXLPYQJBHJHNE-CQSZACIVSA-N
XLogP2.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
4-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782824
(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136782835) is 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is SNXLPYQJBHJHNE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-20-16(10-19(25)21-13)14-6-5-9-24(11-14)12-18-22-15-7-3-4-8-17(15)23(18)2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,20,21,25)/t14-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 337.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136782835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).