1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one

C26H31N5O — CID 90847767

IUPAC1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cnc(-c4cc(C)ccc4C4CCNCC4)[nH]3)ccc21
InChIInChI=1S/C26H31N5O/c1-4-30-23-9-7-19(15-24(23)31(5-2)26(30)32)22-16-28-25(29-22)21-14-17(3)6-8-20(21)18-10-12-27-13-11-18/h6-9,14-16,18,27H,4-5,10-13H2,1-3H3,(H,28,29)
InChIKeyUYPATXWAUCRBLX-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.68
Rot. Bonds5

About 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one

1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 90847767) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID90847767
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3cnc(-c4cc(C)ccc4C4CCNCC4)[nH]3)ccc21
InChIInChI=1S/C26H31N5O/c1-4-30-23-9-7-19(15-24(23)31(5-2)26(30)32)22-16-28-25(29-22)21-14-17(3)6-8-20(21)18-10-12-27-13-11-18/h6-9,14-16,18,27H,4-5,10-13H2,1-3H3,(H,28,29)
InChIKeyUYPATXWAUCRBLX-UHFFFAOYSA-N
XLogP4.68
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 91375287
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521
1,3-diethyl-5-[5-(2-fluoro-5-methylphenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]benzimidazol-2-one
CID 58648524
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
CID 22063831
1,3-diethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 22063936
5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
CID 23581594
1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one
CID 23581363
1,3-diethyl-5-[5-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 23581364
3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one
CID 91409317
4-cyclopropyl-1-ethyl-6-methylquinolin-2-one;ethane
CID 145235316
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029255

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one (CID 90847767) is 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3cnc(-c4cc(C)ccc4C4CCNCC4)[nH]3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is UYPATXWAUCRBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-4-30-23-9-7-19(15-24(23)31(5-2)26(30)32)22-16-28-25(29-22)21-14-17(3)6-8-20(21)18-10-12-27-13-11-18/h6-9,14-16,18,27H,4-5,10-13H2,1-3H3,(H,28,29).
What are the key properties of 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 429.57 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 90847767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).