N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine

C23H27N7O — CID 22343514

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESNCCN1CCC(Nc2nc3ccccc3n2Cc2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H27N7O/c24-12-15-29-13-10-18(11-14-29)25-23-26-19-8-4-5-9-20(19)30(23)16-21-27-22(31-28-21)17-6-2-1-3-7-17/h1-9,18H,10-16,24H2,(H,25,26)
InChIKeyGWZYYTVEFFYMDD-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.97
Rot. Bonds7

About N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine

N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 22343514) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID22343514
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESNCCN1CCC(Nc2nc3ccccc3n2Cc2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H27N7O/c24-12-15-29-13-10-18(11-14-29)25-23-26-19-8-4-5-9-20(19)30(23)16-21-27-22(31-28-21)17-6-2-1-3-7-17/h1-9,18H,10-16,24H2,(H,25,26)
InChIKeyGWZYYTVEFFYMDD-UHFFFAOYSA-N
XLogP2.97
TPSA98.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-amine
CID 22343470
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-amine
CID 22343536
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
1-benzyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]benzimidazol-2-amine;dihydrochloride
CID 23345124
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[1-(6-bromo-2-pyridinyl)ethoxymethyl]benzimidazol-2-amine
CID 22711790
4-[[2-[[(3S)-1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidin-3-yl]amino]benzimidazol-1-yl]methyl]benzonitrile
CID 171345597
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (CID 22343514) is N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is NCCN1CCC(Nc2nc3ccccc3n2Cc2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is GWZYYTVEFFYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c24-12-15-29-13-10-18(11-14-29)25-23-26-19-8-4-5-9-20(19)30(23)16-21-27-22(31-28-21)17-6-2-1-3-7-17/h1-9,18H,10-16,24H2,(H,25,26).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 417.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 22343514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).