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

C19H18N4O — CID 135447575

IUPAC5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1cccc(C)c1
InChIInChI=1S/C19H18N4O/c1-12-6-5-7-13(10-12)23-11-16(24)17(18(23)20)19-21-14-8-3-4-9-15(14)22(19)2/h3-10,20,24H,11H2,1-2H3/b20-18-
InChIKeyDFSSGHNKTRAIME-ZZEZOPTASA-N
MW318.38 g/mol
LogP3.65
Rot. Bonds2

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

5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol (PubChem CID 135447575) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol
PubChem CID135447575
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1cccc(C)c1
InChIInChI=1S/C19H18N4O/c1-12-6-5-7-13(10-12)23-11-16(24)17(18(23)20)19-21-14-8-3-4-9-15(14)22(19)2/h3-10,20,24H,11H2,1-2H3/b20-18-
InChIKeyDFSSGHNKTRAIME-ZZEZOPTASA-N
XLogP3.65
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.65
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-(3-methylphenyl)-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol (CID 135447575) is 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1cccc(C)c1.
What is the InChIKey of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol?
The InChIKey is DFSSGHNKTRAIME-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-6-5-7-13(10-12)23-11-16(24)17(18(23)20)19-21-14-8-3-4-9-15(14)22(19)2/h3-10,20,24H,11H2,1-2H3/b20-18-.
What are the key properties of 5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol?
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-methylphenyl)-2H-pyrrol-3-ol has a molecular weight of 318.38 g/mol, XLogP of 3.65, 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-(3-methylphenyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135447575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).