2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

C20H21F2N3O — CID 67512981

IUPAC2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2nc3ccccc3[nH]2)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H21F2N3O/c1-25-10-8-14(9-11-25)26-19(15-12-13(21)6-7-16(15)22)20-23-17-4-2-3-5-18(17)24-20/h2-7,12,14,19H,8-11H2,1H3,(H,23,24)
InChIKeyTWWTYPVPABLEJJ-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.04
Rot. Bonds4

About 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (PubChem CID 67512981) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
PubChem CID67512981
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2nc3ccccc3[nH]2)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H21F2N3O/c1-25-10-8-14(9-11-25)26-19(15-12-13(21)6-7-16(15)22)20-23-17-4-2-3-5-18(17)24-20/h2-7,12,14,19H,8-11H2,1H3,(H,23,24)
InChIKeyTWWTYPVPABLEJJ-UHFFFAOYSA-N
XLogP4.04
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 66836132
2-[(S)-1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]-6-fluorophenol;hydrate
CID 146471919
2-[(2-fluoro-3-iodophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512806
4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
CID 66836297
2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 56948840
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
CID 66835877
2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512834
2-[(3-ethylsulfanyl-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512953
3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenoxy]propan-1-amine
CID 67512767
2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
CID 56948240
5-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]sulfanylpentan-1-amine
CID 66836172
2-[[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methoxy]-2-oxoacetic acid
CID 66836153

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The IUPAC name of 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (CID 67512981) is 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is CN1CCC(OC(c2nc3ccccc3[nH]2)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The InChIKey is TWWTYPVPABLEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-25-10-8-14(9-11-25)26-19(15-12-13(21)6-7-16(15)22)20-23-17-4-2-3-5-18(17)24-20/h2-7,12,14,19H,8-11H2,1H3,(H,23,24).
What are the key properties of 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole has a molecular weight of 357.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is sourced from PubChem (CID 67512981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).