3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide

C26H23N5O — CID 44523598

IUPAC3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)cc3)nc12
InChIInChI=1S/C26H23N5O/c1-17-4-2-7-23-25(17)31-26(30-23)19-10-8-18(9-11-19)20-5-3-6-21(14-20)29-24(32)13-12-22-15-27-16-28-22/h2-11,14-16H,12-13H2,1H3,(H,27,28)(H,29,32)(H,30,31)
InChIKeyYKKLHTMCZXMTBH-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.50
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide

3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide (PubChem CID 44523598) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide
PubChem CID44523598
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)cc3)nc12
InChIInChI=1S/C26H23N5O/c1-17-4-2-7-23-25(17)31-26(30-23)19-10-8-18(9-11-19)20-5-3-6-21(14-20)29-24(32)13-12-22-15-27-16-28-22/h2-11,14-16H,12-13H2,1H3,(H,27,28)(H,29,32)(H,30,31)
InChIKeyYKKLHTMCZXMTBH-UHFFFAOYSA-N
XLogP5.50
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide (CID 44523598) is 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide is Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)cc3)nc12.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide?
The InChIKey is YKKLHTMCZXMTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-17-4-2-7-23-25(17)31-26(30-23)19-10-8-18(9-11-19)20-5-3-6-21(14-20)29-24(32)13-12-22-15-27-16-28-22/h2-11,14-16H,12-13H2,1H3,(H,27,28)(H,29,32)(H,30,31).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide?
3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]propanamide is sourced from PubChem (CID 44523598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).