3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

C21H24N4O — CID 126814222

IUPAC3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
SMILESCc1cccc2[nH]c(CCC(=O)N3CCC(c4ccncc4)CC3)nc12
InChIInChI=1S/C21H24N4O/c1-15-3-2-4-18-21(15)24-19(23-18)5-6-20(26)25-13-9-17(10-14-25)16-7-11-22-12-8-16/h2-4,7-8,11-12,17H,5-6,9-10,13-14H2,1H3,(H,23,24)
InChIKeyLASXITVNKXIYGC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.61
Rot. Bonds4

About 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 126814222) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID126814222
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
SMILESCc1cccc2[nH]c(CCC(=O)N3CCC(c4ccncc4)CC3)nc12
InChIInChI=1S/C21H24N4O/c1-15-3-2-4-18-21(15)24-19(23-18)5-6-20(26)25-13-9-17(10-14-25)16-7-11-22-12-8-16/h2-4,7-8,11-12,17H,5-6,9-10,13-14H2,1H3,(H,23,24)
InChIKeyLASXITVNKXIYGC-UHFFFAOYSA-N
XLogP3.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one (CID 126814222) is 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one is Cc1cccc2[nH]c(CCC(=O)N3CCC(c4ccncc4)CC3)nc12.
What is the InChIKey of 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is LASXITVNKXIYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-3-2-4-18-21(15)24-19(23-18)5-6-20(26)25-13-9-17(10-14-25)16-7-11-22-12-8-16/h2-4,7-8,11-12,17H,5-6,9-10,13-14H2,1H3,(H,23,24).
What are the key properties of 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-benzimidazol-2-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 126814222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).