5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole

C20H16N2O — CID 5329338

IUPAC5-(4-methoxyphenyl)-1-phenylbenzimidazole
SMILESCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4
InChIInChI=1S/C20H16N2O/c1-23-18-10-7-15(8-11-18)16-9-12-20-19(13-16)21-14-22(20)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyOPGUZRRLMQSMAQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.70
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole

5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole (PubChem CID 5329338) has the molecular formula C20H16N2O and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
PubChem CID5329338
Molecular FormulaC20H16N2O
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name5-(4-methoxyphenyl)-1-phenylbenzimidazole
SMILESCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4
InChIInChI=1S/C20H16N2O/c1-23-18-10-7-15(8-11-18)16-9-12-20-19(13-16)21-14-22(20)17-5-3-2-4-6-17/h2-14H,1H3
InChIKeyOPGUZRRLMQSMAQ-UHFFFAOYSA-N
XLogP4.70
TPSA27.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity374

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole (CID 5329338) is 5-(4-methoxyphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole is COC1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=N3)C4=CC=CC=C4.
What is the InChIKey of 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole?
The InChIKey is OPGUZRRLMQSMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-18-10-7-15(8-11-18)16-9-12-20-19(13-16)21-14-22(20)17-5-3-2-4-6-17/h2-14H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole?
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole has a molecular weight of 300.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole is sourced from PubChem (CID 5329338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).