1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole

C21H18N2O — CID 3756820

IUPAC1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
SMILESCc1ccc(COn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-16-11-13-17(14-12-16)15-24-23-20-10-6-5-9-19(20)22-21(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3
InChIKeyOKUPHHDIJUSPDM-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.64
Rot. Bonds4

About 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole

1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole (PubChem CID 3756820) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
PubChem CID3756820
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
SMILESCc1ccc(COn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-16-11-13-17(14-12-16)15-24-23-20-10-6-5-9-19(20)22-21(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3
InChIKeyOKUPHHDIJUSPDM-UHFFFAOYSA-N
XLogP4.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole
CID 11724181
2-phenyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 3710716
2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 1483105
(2-phenylbenzimidazol-1-yl) hypochlorite
CID 68724348
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
2-(2-chlorophenyl)-1-[(4-chlorophenyl)methoxy]benzimidazole
CID 3779300
3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
CID 3774397
2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
CID 3809277
1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
CID 69420518
N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine
CID 163916799
6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 2764991
5-[[2-[4-(aminomethyl)phenyl]benzimidazol-1-yl]oxymethyl]pyrrolidin-3-ol
CID 16638392

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole?
The IUPAC name of 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole (CID 3756820) is 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole?
The canonical SMILES for 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole is Cc1ccc(COn2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole?
The InChIKey is OKUPHHDIJUSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16-11-13-17(14-12-16)15-24-23-20-10-6-5-9-19(20)22-21(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole?
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole has a molecular weight of 314.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole is sourced from PubChem (CID 3756820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).