ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C27H36N4O2 — CID 142059903

IUPACethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCC.CC.O=c1[nH]c2ccccc2cc1-c1nc2ccc(OCCN3CCCCC3)cc2[nH]1
InChIInChI=1S/C23H24N4O2.2C2H6/c28-23-18(14-16-6-2-3-7-19(16)26-23)22-24-20-9-8-17(15-21(20)25-22)29-13-12-27-10-4-1-5-11-27;2*1-2/h2-3,6-9,14-15H,1,4-5,10-13H2,(H,24,25)(H,26,28);2*1-2H3
InChIKeyTWEXXJDYURCTBB-UHFFFAOYSA-N
MW448.61 g/mol
LogP5.99
Rot. Bonds5

About ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 142059903) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID142059903
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Nameethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCC.CC.O=c1[nH]c2ccccc2cc1-c1nc2ccc(OCCN3CCCCC3)cc2[nH]1
InChIInChI=1S/C23H24N4O2.2C2H6/c28-23-18(14-16-6-2-3-7-19(16)26-23)22-24-20-9-8-17(15-21(20)25-22)29-13-12-27-10-4-1-5-11-27;2*1-2/h2-3,6-9,14-15H,1,4-5,10-13H2,(H,24,25)(H,26,28);2*1-2H3
InChIKeyTWEXXJDYURCTBB-UHFFFAOYSA-N
XLogP5.99
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 135698385
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541
1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid
CID 135698380
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
CID 173144591
4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
CID 153469808
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 21260449
2-(6-chloro-1H-indazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-1H-benzimidazole
CID 135820300
6-dodecoxy-2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
CID 4169699
ethane;N-ethyl-4-methoxypent-4-en-1-amine;1-[2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]ethyl]piperidine-4-carboxylic acid
CID 142218477

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 142059903) is ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is CC.CC.O=c1[nH]c2ccccc2cc1-c1nc2ccc(OCCN3CCCCC3)cc2[nH]1.
What is the InChIKey of ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is TWEXXJDYURCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.2C2H6/c28-23-18(14-16-6-2-3-7-19(16)26-23)22-24-20-9-8-17(15-21(20)25-22)29-13-12-27-10-4-1-5-11-27;2*1-2/h2-3,6-9,14-15H,1,4-5,10-13H2,(H,24,25)(H,26,28);2*1-2H3.
What are the key properties of ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 448.61 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 142059903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).