[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C19H20N4O — CID 91947190

IUPAC[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1c(C2CCCN(C(=O)c3ccccn3)C2)nc2ccccc21
InChIInChI=1S/C19H20N4O/c1-22-17-10-3-2-8-15(17)21-18(22)14-7-6-12-23(13-14)19(24)16-9-4-5-11-20-16/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyGWSAEKRFKDTNHL-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.99
Rot. Bonds2

About [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91947190) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91947190
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1c(C2CCCN(C(=O)c3ccccn3)C2)nc2ccccc21
InChIInChI=1S/C19H20N4O/c1-22-17-10-3-2-8-15(17)21-18(22)14-7-6-12-23(13-14)19(24)16-9-4-5-11-20-16/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyGWSAEKRFKDTNHL-UHFFFAOYSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-(4-methylquinolin-2-yl)methanone
CID 46974543
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
N,N-dimethyl-2-[1-methyl-3-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyrazol-5-yl]oxyacetamide
CID 91947036
2-methyl-4-phenyl-5-[1-(pyridine-2-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 90541003
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 91946978

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 91947190) is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone is Cn1c(C2CCCN(C(=O)c3ccccn3)C2)nc2ccccc21.
What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GWSAEKRFKDTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-17-10-3-2-8-15(17)21-18(22)14-7-6-12-23(13-14)19(24)16-9-4-5-11-20-16/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91947190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).