2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone

C25H30N4O2 — CID 157065590

IUPAC2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
SMILESCN1CCC(c2nc3ccc(CC(=O)c4ccc(N5CCOCC5)cc4)cc3[nH]2)CC1
InChIInChI=1S/C25H30N4O2/c1-28-10-8-20(9-11-28)25-26-22-7-2-18(16-23(22)27-25)17-24(30)19-3-5-21(6-4-19)29-12-14-31-15-13-29/h2-7,16,20H,8-15,17H2,1H3,(H,26,27)
InChIKeyABVKZHPUDSDODO-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone

2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 157065590) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
PubChem CID157065590
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
SMILESCN1CCC(c2nc3ccc(CC(=O)c4ccc(N5CCOCC5)cc4)cc3[nH]2)CC1
InChIInChI=1S/C25H30N4O2/c1-28-10-8-20(9-11-28)25-26-22-7-2-18(16-23(22)27-25)17-24(30)19-3-5-21(6-4-19)29-12-14-31-15-13-29/h2-7,16,20H,8-15,17H2,1H3,(H,26,27)
InChIKeyABVKZHPUDSDODO-UHFFFAOYSA-N
XLogP3.63
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 149226429
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 170948220
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-[1-[4-(2-cyclopropylethyl)phenyl]indazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147778044
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147593582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone (CID 157065590) is 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone is CN1CCC(c2nc3ccc(CC(=O)c4ccc(N5CCOCC5)cc4)cc3[nH]2)CC1.
What is the InChIKey of 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
The InChIKey is ABVKZHPUDSDODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-28-10-8-20(9-11-28)25-26-22-7-2-18(16-23(22)27-25)17-24(30)19-3-5-21(6-4-19)29-12-14-31-15-13-29/h2-7,16,20H,8-15,17H2,1H3,(H,26,27).
What are the key properties of 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone?
2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 418.54 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 157065590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).