1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone

C20H24N6O — CID 70248883

IUPAC1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(C)Nc2nccc(-n3cnc4ccccc43)n2)C1
InChIInChI=1S/C20H24N6O/c1-14(16-6-5-11-25(12-16)15(2)27)23-20-21-10-9-19(24-20)26-13-22-17-7-3-4-8-18(17)26/h3-4,7-10,13-14,16H,5-6,11-12H2,1-2H3,(H,21,23,24)
InChIKeyGUMQNWGUWGTAKX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone

1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone (PubChem CID 70248883) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone
PubChem CID70248883
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(C)Nc2nccc(-n3cnc4ccccc43)n2)C1
InChIInChI=1S/C20H24N6O/c1-14(16-6-5-11-25(12-16)15(2)27)23-20-21-10-9-19(24-20)26-13-22-17-7-3-4-8-18(17)26/h3-4,7-10,13-14,16H,5-6,11-12H2,1-2H3,(H,21,23,24)
InChIKeyGUMQNWGUWGTAKX-UHFFFAOYSA-N
XLogP2.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 18332623
3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20712003
3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
CID 18332601
3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-N-(1H-indol-5-yl)piperidine-1-carboxamide
CID 18332642
benzyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate;1-(2-methylsulfonylpyrimidin-4-yl)benzimidazole
CID 160755314
ethyl 2-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]acetate
CID 18332624
benzyl 3-[1-[[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 18332617
benzyl 3-[1-[[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 70125116
tert-butyl N-[1-[2-[1-[1-(naphthalen-1-ylcarbamoyl)piperidin-3-yl]ethylamino]pyrimidin-4-yl]benzimidazol-5-yl]carbamate
CID 70127239
N-naphthalen-1-yl-3-[1-[[4-[5-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide
CID 20712014
(3R)-3-[(1S)-1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 59973375
4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
CID 142035804

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone (CID 70248883) is 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(C)Nc2nccc(-n3cnc4ccccc43)n2)C1.
What is the InChIKey of 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone?
The InChIKey is GUMQNWGUWGTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(16-6-5-11-25(12-16)15(2)27)23-20-21-10-9-19(24-20)26-13-22-17-7-3-4-8-18(17)26/h3-4,7-10,13-14,16H,5-6,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone?
1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70248883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).