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

C23H28N8O — CID 155528214

IUPAC6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(C)no5)cc4[nH]3)c2)CC1
InChIInChI=1S/C23H28N8O/c1-3-8-30-9-11-31(12-10-30)15-17-6-7-24-21(13-17)28-23-26-19-5-4-18(14-20(19)27-23)22-25-16(2)29-32-22/h4-7,13-14H,3,8-12,15H2,1-2H3,(H2,24,26,27,28)
InChIKeyBWYVUFVBJMUEOM-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.59
Rot. Bonds7

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

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 155528214) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID155528214
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
SMILESCCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(C)no5)cc4[nH]3)c2)CC1
InChIInChI=1S/C23H28N8O/c1-3-8-30-9-11-31(12-10-30)15-17-6-7-24-21(13-17)28-23-26-19-5-4-18(14-20(19)27-23)22-25-16(2)29-32-22/h4-7,13-14H,3,8-12,15H2,1-2H3,(H2,24,26,27,28)
InChIKeyBWYVUFVBJMUEOM-UHFFFAOYSA-N
XLogP3.59
TPSA99.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine (CID 155528214) is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine is CCCN1CCN(Cc2ccnc(Nc3nc4ccc(-c5nc(C)no5)cc4[nH]3)c2)CC1.
What is the InChIKey of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is BWYVUFVBJMUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-3-8-30-9-11-31(12-10-30)15-17-6-7-24-21(13-17)28-23-26-19-5-4-18(14-20(19)27-23)22-25-16(2)29-32-22/h4-7,13-14H,3,8-12,15H2,1-2H3,(H2,24,26,27,28).
What are the key properties of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?
6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 432.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 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-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 155528214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).