(2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol

C24H20N4O — CID 135723788

IUPAC(2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)[C@H](c2ccccc2)N1c1ccc(C)cc1
InChIInChI=1S/C24H20N4O/c1-15-11-13-17(14-12-15)28-21(16-7-3-2-4-8-16)22(29)20(23(28)25)24-26-18-9-5-6-10-19(18)27-24/h2-14,21,25,29H,1H3,(H,26,27)/b25-23-/t21-/m0/s1
InChIKeyOATIMVFCXHAMOQ-KFHWJWAOSA-N
MW380.45 g/mol
LogP5.38
Rot. Bonds3

About (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol

(2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol (PubChem CID 135723788) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name(2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol
PubChem CID135723788
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name(2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)[C@H](c2ccccc2)N1c1ccc(C)cc1
InChIInChI=1S/C24H20N4O/c1-15-11-13-17(14-12-15)28-21(16-7-3-2-4-8-16)22(29)20(23(28)25)24-26-18-9-5-6-10-19(18)27-24/h2-14,21,25,29H,1H3,(H,26,27)/b25-23-/t21-/m0/s1
InChIKeyOATIMVFCXHAMOQ-KFHWJWAOSA-N
XLogP5.38
TPSA76.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol 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 (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol?
The IUPAC name of (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol (CID 135723788) is (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)[C@H](c2ccccc2)N1c1ccc(C)cc1.
What is the InChIKey of (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol?
The InChIKey is OATIMVFCXHAMOQ-KFHWJWAOSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-11-13-17(14-12-15)28-21(16-7-3-2-4-8-16)22(29)20(23(28)25)24-26-18-9-5-6-10-19(18)27-24/h2-14,21,25,29H,1H3,(H,26,27)/b25-23-/t21-/m0/s1.
What are the key properties of (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol?
(2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol has a molecular weight of 380.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1H-benzimidazol-2-yl)-5-imino-1-(4-methylphenyl)-2-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).