6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

C20H22N8O — CID 129245476

IUPAC6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C20H22N8O/c1-13-23-19(29-27-13)15-2-3-16-17(11-15)25-20(24-16)26-18-10-14(4-5-22-18)12-28-8-6-21-7-9-28/h2-5,10-11,21H,6-9,12H2,1H3,(H2,22,24,25,26)
InChIKeyFQLDODIEEKFQOP-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.47
Rot. Bonds5

About 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 129245476) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID129245476
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C20H22N8O/c1-13-23-19(29-27-13)15-2-3-16-17(11-15)25-20(24-16)26-18-10-14(4-5-22-18)12-28-8-6-21-7-9-28/h2-5,10-11,21H,6-9,12H2,1H3,(H2,22,24,25,26)
InChIKeyFQLDODIEEKFQOP-UHFFFAOYSA-N
XLogP2.47
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (CID 129245476) is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)n1.
What is the InChIKey of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is FQLDODIEEKFQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-13-23-19(29-27-13)15-2-3-16-17(11-15)25-20(24-16)26-18-10-14(4-5-22-18)12-28-8-6-21-7-9-28/h2-5,10-11,21H,6-9,12H2,1H3,(H2,22,24,25,26).
What are the key properties of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?
6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 390.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129245476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).