2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

C21H24FN3O — CID 66836132

IUPAC2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCc1ccc(C(OC2CCN(C)CC2)c2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C21H24FN3O/c1-14-7-8-15(13-17(14)22)20(26-16-9-11-25(2)12-10-16)21-23-18-5-3-4-6-19(18)24-21/h3-8,13,16,20H,9-12H2,1-2H3,(H,23,24)
InChIKeyVXRMHISYTIAJDO-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.21
Rot. Bonds4

About 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (PubChem CID 66836132) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
PubChem CID66836132
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCc1ccc(C(OC2CCN(C)CC2)c2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C21H24FN3O/c1-14-7-8-15(13-17(14)22)20(26-16-9-11-25(2)12-10-16)21-23-18-5-3-4-6-19(18)24-21/h3-8,13,16,20H,9-12H2,1-2H3,(H,23,24)
InChIKeyVXRMHISYTIAJDO-UHFFFAOYSA-N
XLogP4.21
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (CID 66836132) is 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is Cc1ccc(C(OC2CCN(C)CC2)c2nc3ccccc3[nH]2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The InChIKey is VXRMHISYTIAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-14-7-8-15(13-17(14)22)20(26-16-9-11-25(2)12-10-16)21-23-18-5-3-4-6-19(18)24-21/h3-8,13,16,20H,9-12H2,1-2H3,(H,23,24).
What are the key properties of 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole has a molecular weight of 353.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is sourced from PubChem (CID 66836132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).