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

C22H24FN3O3 — CID 645324

IUPAC(3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C22H24FN3O3/c1-14-24-20-12-16(23)4-5-21(20)26(14)17-6-8-25(9-7-17)22(27)15-10-18(28-2)13-19(11-15)29-3/h4-5,10-13,17H,6-9H2,1-3H3
InChIKeyBUDQJHRBQVIYCO-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.98
Rot. Bonds4

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

(3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 645324) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID645324
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C22H24FN3O3/c1-14-24-20-12-16(23)4-5-21(20)26(14)17-6-8-25(9-7-17)22(27)15-10-18(28-2)13-19(11-15)29-3/h4-5,10-13,17H,6-9H2,1-3H3
InChIKeyBUDQJHRBQVIYCO-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 (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 645324) is (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is BUDQJHRBQVIYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14-24-20-12-16(23)4-5-21(20)26(14)17-6-8-25(9-7-17)22(27)15-10-18(28-2)13-19(11-15)29-3/h4-5,10-13,17H,6-9H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(3,5-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 (3,5-dimethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 645324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).