5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol

C20H16N2O — CID 135422380

IUPAC5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1\C(c2ccccc2)=C(O)CN1c1cccc2ccccc12
InChIInChI=1S/C20H16N2O/c21-20-19(15-8-2-1-3-9-15)18(23)13-22(20)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,21,23H,13H2/b21-20+
InChIKeyODUYJLDTMFUMCN-QZQOTICOSA-N
MW300.36 g/mol
LogP4.61
Rot. Bonds2

About 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol

5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135422380) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol
PubChem CID135422380
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1\C(c2ccccc2)=C(O)CN1c1cccc2ccccc12
InChIInChI=1S/C20H16N2O/c21-20-19(15-8-2-1-3-9-15)18(23)13-22(20)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,21,23H,13H2/b21-20+
InChIKeyODUYJLDTMFUMCN-QZQOTICOSA-N
XLogP4.61
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-imino-1-(4-methylphenyl)-4-phenyl-2H-pyrrol-3-ol
CID 135413421
N-(3-Ethylphenyl)-N-methyl-N'-ethyl-N'-(1-naphthyl)guanidine
CID 9996818
5-(2-Hydroxyethylimino)-2-(1-naphthyl)-3-phenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 57326394
5-amino-1,4-diphenyl-1,2-dihydro-3H-pyrrol-3-one
CID 135402551
(3Z)-1-(2-hydroxyethyl)-3-[(naphthalen-1-ylamino)-phenylmethylidene]thiourea
CID 57326025
2-naphthalen-1-yl-1H-pentaleno[1,2-c]pyrrol-3-imine
CID 52281050
5-imino-4-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-3-ol
CID 135402501
1-(3-fluorophenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
CID 135451542
2-[(2-Naphthalen-1-yl-3-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
CID 51038970
1-(2-Hydroxyethyl)-3-(N-1-naphthylbenzimidoyl)thiourea
CID 76510924
1-Allyl-2-phenylperimidine
CID 129786636
1-Methyl-2-(2-methyl-2-hydroxypropyl)perimidine
CID 129786689

Frequently Asked Questions

What is the IUPAC name of 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol (CID 135422380) is 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1\C(c2ccccc2)=C(O)CN1c1cccc2ccccc12.
What is the InChIKey of 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol?
The InChIKey is ODUYJLDTMFUMCN-QZQOTICOSA-N. The full InChI is InChI=1S/C20H16N2O/c21-20-19(15-8-2-1-3-9-15)18(23)13-22(20)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,21,23H,13H2/b21-20+.
What are the key properties of 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol?
5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 300.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-naphthalen-1-yl-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135422380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).