[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C19H22N6O — CID 46975918

IUPAC[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCNc1ncc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cn1
InChIInChI=1S/C19H22N6O/c1-20-19-21-10-14(11-22-19)18(26)25-9-5-6-13(12-25)17-23-15-7-3-4-8-16(15)24(17)2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,21,22)
InChIKeyNXOOIZYXUSOBPU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.42
Rot. Bonds3

About [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 46975918) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID46975918
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCNc1ncc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cn1
InChIInChI=1S/C19H22N6O/c1-20-19-21-10-14(11-22-19)18(26)25-9-5-6-13(12-25)17-23-15-7-3-4-8-16(15)24(17)2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,21,22)
InChIKeyNXOOIZYXUSOBPU-UHFFFAOYSA-N
XLogP2.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 91947124
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92628216

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 46975918) is [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is CNc1ncc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)cn1.
What is the InChIKey of [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NXOOIZYXUSOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-20-19-21-10-14(11-22-19)18(26)25-9-5-6-13(12-25)17-23-15-7-3-4-8-16(15)24(17)2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,21,22).
What are the key properties of [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46975918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).