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

C25H29N5O — CID 22063831

IUPAC1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)ncn3C3CCNC3)ccc21
InChIInChI=1S/C25H29N5O/c1-4-28-21-10-9-19(14-22(21)29(5-2)25(28)31)24-23(18-8-6-7-17(3)13-18)27-16-30(24)20-11-12-26-15-20/h6-10,13-14,16,20,26H,4-5,11-12,15H2,1-3H3
InChIKeyWPHADXYHDZTGCO-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.22
Rot. Bonds5

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

1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one (PubChem CID 22063831) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
PubChem CID22063831
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)ncn3C3CCNC3)ccc21
InChIInChI=1S/C25H29N5O/c1-4-28-21-10-9-19(14-22(21)29(5-2)25(28)31)24-23(18-8-6-7-17(3)13-18)27-16-30(24)20-11-12-26-15-20/h6-10,13-14,16,20,26H,4-5,11-12,15H2,1-3H3
InChIKeyWPHADXYHDZTGCO-UHFFFAOYSA-N
XLogP4.22
TPSA56.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.22
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-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one (CID 22063831) is 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)ncn3C3CCNC3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one?
The InChIKey is WPHADXYHDZTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-4-28-21-10-9-19(14-22(21)29(5-2)25(28)31)24-23(18-8-6-7-17(3)13-18)27-16-30(24)20-11-12-26-15-20/h6-10,13-14,16,20,26H,4-5,11-12,15H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one has a molecular weight of 415.54 g/mol, XLogP of 4.22, 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-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 22063831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).