1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one

C27H33N5O — CID 23581368

IUPAC1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)nc(C4CCNCC4)n3C)ccc21
InChIInChI=1S/C27H33N5O/c1-5-31-22-11-10-21(17-23(22)32(6-2)27(31)33)25-24(20-9-7-8-18(3)16-20)29-26(30(25)4)19-12-14-28-15-13-19/h7-11,16-17,19,28H,5-6,12-15H2,1-4H3
InChIKeyBNTRJMIKPGFIQO-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.69
Rot. Bonds5

About 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one

1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one (PubChem CID 23581368) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one
PubChem CID23581368
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)nc(C4CCNCC4)n3C)ccc21
InChIInChI=1S/C27H33N5O/c1-5-31-22-11-10-21(17-23(22)32(6-2)27(31)33)25-24(20-9-7-8-18(3)16-20)29-26(30(25)4)19-12-14-28-15-13-19/h7-11,16-17,19,28H,5-6,12-15H2,1-4H3
InChIKeyBNTRJMIKPGFIQO-UHFFFAOYSA-N
XLogP4.69
TPSA56.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one (CID 23581368) is 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)nc(C4CCNCC4)n3C)ccc21.
What is the InChIKey of 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
The InChIKey is BNTRJMIKPGFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-5-31-22-11-10-21(17-23(22)32(6-2)27(31)33)25-24(20-9-7-8-18(3)16-20)29-26(30(25)4)19-12-14-28-15-13-19/h7-11,16-17,19,28H,5-6,12-15H2,1-4H3.
What are the key properties of 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one has a molecular weight of 443.60 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 23581368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).