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

C25H29N5O — CID 23581363

IUPAC1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)ncn3C3(C)CNC3)ccc21
InChIInChI=1S/C25H29N5O/c1-5-28-20-11-10-19(13-21(20)29(6-2)24(28)31)23-22(18-9-7-8-17(3)12-18)27-16-30(23)25(4)14-26-15-25/h7-13,16,26H,5-6,14-15H2,1-4H3
InChIKeyHQRFYRNEWISZFH-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.00
Rot. Bonds5

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

1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one (PubChem CID 23581363) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one
PubChem CID23581363
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)ncn3C3(C)CNC3)ccc21
InChIInChI=1S/C25H29N5O/c1-5-28-20-11-10-19(13-21(20)29(6-2)24(28)31)23-22(18-9-7-8-17(3)12-18)27-16-30(23)25(4)14-26-15-25/h7-13,16,26H,5-6,14-15H2,1-4H3
InChIKeyHQRFYRNEWISZFH-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
CID 23647076
5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
CID 23581594
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
1,3-diethyl-5-[3-(3-methylphenyl)-1-prop-2-enylpyrazol-4-yl]benzimidazol-2-one
CID 22063941
2-[5-amino-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 22063829
1,3-diethyl-5-[1-[2-(2-methoxyethylamino)ethyl]-5-(3-methylphenyl)pyrazol-4-yl]benzimidazol-2-one
CID 22063802
N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide
CID 23581727
5-[3-(butylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one
CID 142168745
1,3-diethyl-5-[5-(2-fluoro-5-methylphenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]benzimidazol-2-one
CID 58648524
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one (CID 23581363) is 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)ncn3C3(C)CNC3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one?
The InChIKey is HQRFYRNEWISZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-5-28-20-11-10-19(13-21(20)29(6-2)24(28)31)23-22(18-9-7-8-17(3)12-18)27-16-30(23)25(4)14-26-15-25/h7-13,16,26H,5-6,14-15H2,1-4H3.
What are the key properties of 1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[3-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one has a molecular weight of 415.54 g/mol, XLogP of 4.00, 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-(3-methylazetidin-3-yl)-5-(3-methylphenyl)imidazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 23581363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).