2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole

C28H20N2O — CID 138374087

IUPAC2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C28H20N2O/c1-31-22-14-11-20(12-15-22)28-29-27-25-16-13-19-7-5-6-10-23(19)24(25)17-18-26(27)30(28)21-8-3-2-4-9-21/h2-18H,1H3
InChIKeyBXWQGSPWJNKHBU-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.01
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole

2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole (PubChem CID 138374087) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
PubChem CID138374087
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole
SMILESCOc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C28H20N2O/c1-31-22-14-11-20(12-15-22)28-29-27-25-16-13-19-7-5-6-10-23(19)24(25)17-18-26(27)30(28)21-8-3-2-4-9-21/h2-18H,1H3
InChIKeyBXWQGSPWJNKHBU-UHFFFAOYSA-N
XLogP7.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
1-(4-Methoxy-3-Methylbenzyl)-1,5,6,7-Tetrahydroindeno[5,6-D]imidazole
CID 73442216
1-(4-Methoxy-3-Methylbenzyl)-5,6,7,8-Tetrahydro-1h-Naphtho[2,3-D]imidazole
CID 73442217
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
Tomoxiprole
CID 6917745
7-[2-(4-Methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76336478
2-[(4-Methoxyphenyl)methyl]-1-methylbenzimidazole;hydrochloride
CID 16188195
2-(4-Methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 661309
2-(4-methoxyphenyl)-1-propyl-1H-1,3-benzodiazole
CID 748266
1-allyl-2-(4-methoxyphenyl)-1H-benzimidazole
CID 748269

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole (CID 138374087) is 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole is COc1ccc(-c2nc3c4ccc5ccccc5c4ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
The InChIKey is BXWQGSPWJNKHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-31-22-14-11-20(12-15-22)28-29-27-25-16-13-19-7-5-6-10-23(19)24(25)17-18-26(27)30(28)21-8-3-2-4-9-21/h2-18H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole?
2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole has a molecular weight of 400.48 g/mol, XLogP of 7.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-phenylnaphtho[2,1-e]benzimidazole is sourced from PubChem (CID 138374087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).