1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone

C24H24N4O2 — CID 154689042

IUPAC1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-15-21(16(2)29)22(17-6-4-3-5-7-17)23(25-15)24-26-19-9-8-18(14-20(19)27-24)28-10-12-30-13-11-28/h3-9,14,25H,10-13H2,1-2H3,(H,26,27)
InChIKeyPJOPSONEJPSZDM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.57
Rot. Bonds4

About 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone

1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone (PubChem CID 154689042) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone
PubChem CID154689042
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-15-21(16(2)29)22(17-6-4-3-5-7-17)23(25-15)24-26-19-9-8-18(14-20(19)27-24)28-10-12-30-13-11-28/h3-9,14,25H,10-13H2,1-2H3,(H,26,27)
InChIKeyPJOPSONEJPSZDM-UHFFFAOYSA-N
XLogP4.57
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone 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 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone (CID 154689042) is 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1-c1ccccc1.
What is the InChIKey of 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is PJOPSONEJPSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-21(16(2)29)22(17-6-4-3-5-7-17)23(25-15)24-26-19-9-8-18(14-20(19)27-24)28-10-12-30-13-11-28/h3-9,14,25H,10-13H2,1-2H3,(H,26,27).
What are the key properties of 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone?
1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 400.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-phenyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 154689042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).