7-methoxy-1-phenylbenzimidazole

C14H12N2O — CID 5328483

IUPAC7-methoxy-1-phenylbenzimidazole
SMILESCOc1cccc2ncn(-c3ccccc3)c12
InChIInChI=1S/C14H12N2O/c1-17-13-9-5-8-12-14(13)16(10-15-12)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyIUSGVJIKISFUGU-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.03
Rot. Bonds2

About 7-methoxy-1-phenylbenzimidazole

7-methoxy-1-phenylbenzimidazole (PubChem CID 5328483) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-methoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name7-methoxy-1-phenylbenzimidazole
PubChem CID5328483
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name7-methoxy-1-phenylbenzimidazole
SMILESCOc1cccc2ncn(-c3ccccc3)c12
InChIInChI=1S/C14H12N2O/c1-17-13-9-5-8-12-14(13)16(10-15-12)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyIUSGVJIKISFUGU-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-phenylbenzimidazole?
The IUPAC name of 7-methoxy-1-phenylbenzimidazole (CID 5328483) is 7-methoxy-1-phenylbenzimidazole.
What is the SMILES notation for 7-methoxy-1-phenylbenzimidazole?
The canonical SMILES for 7-methoxy-1-phenylbenzimidazole is COc1cccc2ncn(-c3ccccc3)c12.
What is the InChIKey of 7-methoxy-1-phenylbenzimidazole?
The InChIKey is IUSGVJIKISFUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-13-9-5-8-12-14(13)16(10-15-12)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 7-methoxy-1-phenylbenzimidazole?
7-methoxy-1-phenylbenzimidazole has a molecular weight of 224.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-phenylbenzimidazole is sourced from PubChem (CID 5328483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).