5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol

C18H16N4O — CID 135467314

IUPAC5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1ccccc1
InChIInChI=1S/C18H16N4O/c1-21-14-10-6-5-9-13(14)20-18(21)16-15(23)11-22(17(16)19)12-7-3-2-4-8-12/h2-10,19,23H,11H2,1H3/b19-17-
InChIKeyMCFICWTZELKKHO-ZPHPHTNESA-N
MW304.35 g/mol
LogP3.34
Rot. Bonds2

About 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol

5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol (PubChem CID 135467314) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol
PubChem CID135467314
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1ccccc1
InChIInChI=1S/C18H16N4O/c1-21-14-10-6-5-9-13(14)20-18(21)16-15(23)11-22(17(16)19)12-7-3-2-4-8-12/h2-10,19,23H,11H2,1H3/b19-17-
InChIKeyMCFICWTZELKKHO-ZPHPHTNESA-N
XLogP3.34
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol (CID 135467314) is 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1ccccc1.
What is the InChIKey of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol?
The InChIKey is MCFICWTZELKKHO-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N4O/c1-21-14-10-6-5-9-13(14)20-18(21)16-15(23)11-22(17(16)19)12-7-3-2-4-8-12/h2-10,19,23H,11H2,1H3/b19-17-.
What are the key properties of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol?
5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol has a molecular weight of 304.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-(1-methylbenzimidazol-2-yl)-1-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135467314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).