N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H18N6O — CID 86802821

IUPACN-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCCCn2cnc3ccccc32)n1
InChIInChI=1S/C18H18N6O/c1-13-22-18(25-23-13)14-6-4-9-19-17(14)20-10-5-11-24-12-21-15-7-2-3-8-16(15)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChIKeySUSWFNBPDLSEAT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.29
Rot. Bonds6

About N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 86802821) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID86802821
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCCCn2cnc3ccccc32)n1
InChIInChI=1S/C18H18N6O/c1-13-22-18(25-23-13)14-6-4-9-19-17(14)20-10-5-11-24-12-21-15-7-2-3-8-16(15)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20)
InChIKeySUSWFNBPDLSEAT-UHFFFAOYSA-N
XLogP3.29
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 86802821) is N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2cccnc2NCCCn2cnc3ccccc32)n1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is SUSWFNBPDLSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13-22-18(25-23-13)14-6-4-9-19-17(14)20-10-5-11-24-12-21-15-7-2-3-8-16(15)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 334.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 86802821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).