[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone

C21H22N6O — CID 96576304

IUPAC[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCc1nc2ncccn2c1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1
InChIInChI=1S/C21H22N6O/c1-13-6-3-8-16-17(13)25-19(24-16)15-7-4-10-26(12-15)20(28)18-14(2)23-21-22-9-5-11-27(18)21/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyXVZRBRUELWUZHH-HNNXBMFYSA-N
MW374.45 g/mol
LogP3.24
Rot. Bonds2

About [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone

[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 96576304) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID96576304
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESCc1nc2ncccn2c1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1
InChIInChI=1S/C21H22N6O/c1-13-6-3-8-16-17(13)25-19(24-16)15-7-4-10-26(12-15)20(28)18-14(2)23-21-22-9-5-11-27(18)21/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3,(H,24,25)/t15-/m0/s1
InChIKeyXVZRBRUELWUZHH-HNNXBMFYSA-N
XLogP3.24
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72916751
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
(1-tert-butylpyrrol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 72868287
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 70711688
1-benzofuran-5-yl-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97131515
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 97141987
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone (CID 96576304) is [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone is Cc1nc2ncccn2c1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1.
What is the InChIKey of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is XVZRBRUELWUZHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-6-3-8-16-17(13)25-19(24-16)15-7-4-10-26(12-15)20(28)18-14(2)23-21-22-9-5-11-27(18)21/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3,(H,24,25)/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone?
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 96576304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).