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

C19H18N4O — CID 135519505

IUPAC1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1Cc1ccccc1
InChIInChI=1S/C19H18N4O/c1-22-15-10-6-5-9-14(15)21-19(22)17-16(24)12-23(18(17)20)11-13-7-3-2-4-8-13/h2-10,20,24H,11-12H2,1H3/b20-18-
InChIKeyGBNRNGUTWXVTCJ-ZZEZOPTASA-N
MW318.38 g/mol
LogP3.34
Rot. Bonds3

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

1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 135519505) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
PubChem CID135519505
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1Cc1ccccc1
InChIInChI=1S/C19H18N4O/c1-22-15-10-6-5-9-14(15)21-19(22)17-16(24)12-23(18(17)20)11-13-7-3-2-4-8-13/h2-10,20,24H,11-12H2,1H3/b20-18-
InChIKeyGBNRNGUTWXVTCJ-ZZEZOPTASA-N
XLogP3.34
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
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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Related Compounds

CID 65997
CID 65997
CID 123618
CID 123618
CID 44592366
CID 44592366
CID 3019305
CID 3019305
CID 6918876
CID 6918876
CID 619876
CID 619876
CID 445756
CID 445756
CID 563347
CID 563347
CID 950737
CID 950737
CID 1221687
CID 1221687
CID 1043331
CID 1043331
CID 2855383
CID 2855383

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (CID 135519505) is 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is GBNRNGUTWXVTCJ-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N4O/c1-22-15-10-6-5-9-14(15)21-19(22)17-16(24)12-23(18(17)20)11-13-7-3-2-4-8-13/h2-10,20,24H,11-12H2,1H3/b20-18-.
What are the key properties of 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 318.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135519505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).