[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

C22H22F2N4O2 — CID 56516463

IUPAC[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C22H22F2N4O2/c23-20(24)21-25-17-3-2-16(12-18(17)26-21)22(29)28-8-6-27(7-9-28)13-14-1-4-19-15(11-14)5-10-30-19/h1-4,11-12,20H,5-10,13H2,(H,25,26)
InChIKeyWIIRTFFADJLASP-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.39
Rot. Bonds4

About [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone

[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56516463) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID56516463
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C22H22F2N4O2/c23-20(24)21-25-17-3-2-16(12-18(17)26-21)22(29)28-8-6-27(7-9-28)13-14-1-4-19-15(11-14)5-10-30-19/h1-4,11-12,20H,5-10,13H2,(H,25,26)
InChIKeyWIIRTFFADJLASP-UHFFFAOYSA-N
XLogP3.39
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethylsulfanyl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 30946750
2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 56561355
(5-bromothiophen-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 39641838
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-ethylsulfanyl-4-pyridinyl)methanone
CID 55996214
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37211741
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 56559612
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 56814548
N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 11568839
[7-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methylsulfonylphenyl)methanone
CID 59604483
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone;hydrochloride
CID 45479147
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 31608304
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone (CID 56516463) is [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WIIRTFFADJLASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-20(24)21-25-17-3-2-16(12-18(17)26-21)22(29)28-8-6-27(7-9-28)13-14-1-4-19-15(11-14)5-10-30-19/h1-4,11-12,20H,5-10,13H2,(H,25,26).
What are the key properties of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone?
[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 412.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56516463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).