5-(4-methoxyphenyl)-1-phenylbenzimidazole

C20H16N2O — CID 5329338

IUPAC5-(4-methoxyphenyl)-1-phenylbenzimidazole
SMILESCOc1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cc1
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
MW300.36 g/mol
LogP4.70
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-phenylbenzimidazole

5-(4-methoxyphenyl)-1-phenylbenzimidazole (PubChem CID 5329338) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-phenylbenzimidazole
PubChem CID5329338
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-(4-methoxyphenyl)-1-phenylbenzimidazole
SMILESCOc1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cc1
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
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-phenylbenzimidazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-phenylbenzimidazole (CID 5329338) is 5-(4-methoxyphenyl)-1-phenylbenzimidazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-phenylbenzimidazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-phenylbenzimidazole is COc1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-phenylbenzimidazole?
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-phenylbenzimidazole?
5-(4-methoxyphenyl)-1-phenylbenzimidazole has a molecular weight of 300.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-phenylbenzimidazole is sourced from PubChem (CID 5329338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).