(3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

C22H24FN3O3 — CID 644855

IUPAC(3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1OC
InChIInChI=1S/C22H24FN3O3/c1-14-24-18-13-16(23)5-6-19(18)26(14)17-8-10-25(11-9-17)22(27)15-4-7-20(28-2)21(12-15)29-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyLNVGSRGJNKVAGI-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.98
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 644855) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID644855
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1OC
InChIInChI=1S/C22H24FN3O3/c1-14-24-18-13-16(23)5-6-19(18)26(14)17-8-10-25(11-9-17)22(27)15-4-7-20(28-2)21(12-15)29-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyLNVGSRGJNKVAGI-UHFFFAOYSA-N
XLogP3.98
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 644855) is (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is LNVGSRGJNKVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14-24-18-13-16(23)5-6-19(18)26(14)17-8-10-25(11-9-17)22(27)15-4-7-20(28-2)21(12-15)29-3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 397.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 644855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).