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

C26H31N5O — CID 22063973

IUPAC1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C26H31N5O/c1-4-30-21-10-9-20(16-22(21)31(5-2)26(30)32)24-23(19-8-6-7-17(3)15-19)28-25(29-24)18-11-13-27-14-12-18/h6-10,15-16,18,27H,4-5,11-14H2,1-3H3,(H,28,29)
InChIKeyVONRMFCPOLZVEU-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.68
Rot. Bonds5

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

1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 22063973) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID22063973
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)ccc21
InChIInChI=1S/C26H31N5O/c1-4-30-21-10-9-20(16-22(21)31(5-2)26(30)32)24-23(19-8-6-7-17(3)15-19)28-25(29-24)18-11-13-27-14-12-18/h6-10,15-16,18,27H,4-5,11-14H2,1-3H3,(H,28,29)
InChIKeyVONRMFCPOLZVEU-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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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one (CID 22063973) is 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is VONRMFCPOLZVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-4-30-21-10-9-20(16-22(21)31(5-2)26(30)32)24-23(19-8-6-7-17(3)15-19)28-25(29-24)18-11-13-27-14-12-18/h6-10,15-16,18,27H,4-5,11-14H2,1-3H3,(H,28,29).
What are the key properties of 1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
1,3-diethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-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-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 22063973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).