[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

C28H26N6O2 — CID 166206338

IUPAC[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6[nH]5)CC4)cc3)o2)c1
InChIInChI=1S/C28H26N6O2/c1-19-5-4-6-22(17-19)27-32-31-26(36-27)20-9-11-21(12-10-20)28(35)34-15-13-33(14-16-34)18-25-29-23-7-2-3-8-24(23)30-25/h2-12,17H,13-16,18H2,1H3,(H,29,30)
InChIKeyILUJJWWKGFVBQF-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.55
Rot. Bonds5

About [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (PubChem CID 166206338) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
PubChem CID166206338
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6[nH]5)CC4)cc3)o2)c1
InChIInChI=1S/C28H26N6O2/c1-19-5-4-6-22(17-19)27-32-31-26(36-27)20-9-11-21(12-10-20)28(35)34-15-13-33(14-16-34)18-25-29-23-7-2-3-8-24(23)30-25/h2-12,17H,13-16,18H2,1H3,(H,29,30)
InChIKeyILUJJWWKGFVBQF-UHFFFAOYSA-N
XLogP4.55
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 134048136
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone;oxalic acid
CID 71780606
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;oxalic acid
CID 71780628
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17408822
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46446205
(4-fluorophenyl)-[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 36954997
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone (CID 166206338) is [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5nc6ccccc6[nH]5)CC4)cc3)o2)c1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
The InChIKey is ILUJJWWKGFVBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-19-5-4-6-22(17-19)27-32-31-26(36-27)20-9-11-21(12-10-20)28(35)34-15-13-33(14-16-34)18-25-29-23-7-2-3-8-24(23)30-25/h2-12,17H,13-16,18H2,1H3,(H,29,30).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone?
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone has a molecular weight of 478.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone is sourced from PubChem (CID 166206338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).