2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole

C22H24FN3O2 — CID 118757886

IUPAC2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole
SMILESCCCN1CCC(n2c(-c3ccc4c(c3)OCO4)nc3cc(F)ccc32)CC1
InChIInChI=1S/C22H24FN3O2/c1-2-9-25-10-7-17(8-11-25)26-19-5-4-16(23)13-18(19)24-22(26)15-3-6-20-21(12-15)28-14-27-20/h3-6,12-13,17H,2,7-11,14H2,1H3
InChIKeyYRMTZSJPGQBFGA-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.62
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole

2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole (PubChem CID 118757886) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole
PubChem CID118757886
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole
SMILESCCCN1CCC(n2c(-c3ccc4c(c3)OCO4)nc3cc(F)ccc32)CC1
InChIInChI=1S/C22H24FN3O2/c1-2-9-25-10-7-17(8-11-25)26-19-5-4-16(23)13-18(19)24-22(26)15-3-6-20-21(12-15)28-14-27-20/h3-6,12-13,17H,2,7-11,14H2,1H3
InChIKeyYRMTZSJPGQBFGA-UHFFFAOYSA-N
XLogP4.62
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 42272931
1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 42483792
(2R)-1-[4-[2-(1,3-benzodioxol-5-yl)-5-fluorobenzimidazol-1-yl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 42431537
1-[4-[2-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]butan-1-one
CID 42431560
1-[4-[2-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 42483350
1-[4-[2-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 42164804
2-[2-(1,3-benzodioxol-5-yl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 94750264
2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
4,6-difluoro-1-(1-propylpiperidin-4-yl)benzimidazol-2-amine
CID 115508758

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole (CID 118757886) is 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole is CCCN1CCC(n2c(-c3ccc4c(c3)OCO4)nc3cc(F)ccc32)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole?
The InChIKey is YRMTZSJPGQBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-2-9-25-10-7-17(8-11-25)26-19-5-4-16(23)13-18(19)24-22(26)15-3-6-20-21(12-15)28-14-27-20/h3-6,12-13,17H,2,7-11,14H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole?
2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole has a molecular weight of 381.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-fluoro-1-(1-propylpiperidin-4-yl)benzimidazole is sourced from PubChem (CID 118757886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).