1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole

C23H21F2N3O2 — CID 118108489

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole
SMILESCOc1cccc(Cc2ccc3nc(C)n(Cc4ccccc4OC(F)F)c3c2)n1
InChIInChI=1S/C23H21F2N3O2/c1-15-26-19-11-10-16(12-18-7-5-9-22(27-18)29-2)13-20(19)28(15)14-17-6-3-4-8-21(17)30-23(24)25/h3-11,13,23H,12,14H2,1-2H3
InChIKeyXEBCSANNKNQXFS-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.99
Rot. Bonds7

About 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole

1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole (PubChem CID 118108489) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole
PubChem CID118108489
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole
SMILESCOc1cccc(Cc2ccc3nc(C)n(Cc4ccccc4OC(F)F)c3c2)n1
InChIInChI=1S/C23H21F2N3O2/c1-15-26-19-11-10-16(12-18-7-5-9-22(27-18)29-2)13-20(19)28(15)14-17-6-3-4-8-21(17)30-23(24)25/h3-11,13,23H,12,14H2,1-2H3
InChIKeyXEBCSANNKNQXFS-UHFFFAOYSA-N
XLogP4.99
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
CID 118108433
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 118108504
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
CID 118108463
4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
CID 118108478
2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-2-pyridinyl]piperazin-1-yl]acetic acid;hydrochloride
CID 118108581
6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
CID 118108486
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-methyl-6-(2-propan-2-yloxypyrimidin-5-yl)benzimidazole
CID 163208711
sodium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-6-fluoro-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]cyclohexane-1-carboxylate
CID 118108605
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazole
CID 141394809
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole (CID 118108489) is 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole is COc1cccc(Cc2ccc3nc(C)n(Cc4ccccc4OC(F)F)c3c2)n1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole?
The InChIKey is XEBCSANNKNQXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-15-26-19-11-10-16(12-18-7-5-9-22(27-18)29-2)13-20(19)28(15)14-17-6-3-4-8-21(17)30-23(24)25/h3-11,13,23H,12,14H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole?
1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole has a molecular weight of 409.44 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 118108489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).