2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole

C20H14ClFN2O — CID 168554437

IUPAC2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
SMILESFc1cccc(COc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H14ClFN2O/c21-14-8-9-19(25-12-13-4-3-5-15(22)10-13)16(11-14)20-23-17-6-1-2-7-18(17)24-20/h1-11H,12H2,(H,23,24)
InChIKeyOUUIWYBJQUVWLX-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.60
Rot. Bonds4

About 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole

2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole (PubChem CID 168554437) has the molecular formula C20H14ClFN2O and a molecular weight of 352.80 g/mol. Its IUPAC name is 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
PubChem CID168554437
Molecular FormulaC20H14ClFN2O
Molecular Weight352.80 g/mol
Exact Mass352.08
IUPAC Name2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
SMILESFc1cccc(COc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H14ClFN2O/c21-14-8-9-19(25-12-13-4-3-5-15(22)10-13)16(11-14)20-23-17-6-1-2-7-18(17)24-20/h1-11H,12H2,(H,23,24)
InChIKeyOUUIWYBJQUVWLX-UHFFFAOYSA-N
XLogP5.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 3329340
2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553774
2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole
CID 168553883
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
CID 168553877
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
CID 171679896
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole (CID 168554437) is 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole is Fc1cccc(COc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole?
The InChIKey is OUUIWYBJQUVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O/c21-14-8-9-19(25-12-13-4-3-5-15(22)10-13)16(11-14)20-23-17-6-1-2-7-18(17)24-20/h1-11H,12H2,(H,23,24).
What are the key properties of 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole?
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole has a molecular weight of 352.80 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).