4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C18H17N5O2 — CID 971438

IUPAC4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(C)c(Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C18H17N5O2/c1-11-7-8-13(24-2)9-12(11)10-23-15-6-4-3-5-14(15)20-18(23)16-17(19)22-25-21-16/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyLGWVROJHLSSHKM-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.03
Rot. Bonds4

About 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 971438) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID971438
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(C)c(Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C18H17N5O2/c1-11-7-8-13(24-2)9-12(11)10-23-15-6-4-3-5-14(15)20-18(23)16-17(19)22-25-21-16/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyLGWVROJHLSSHKM-UHFFFAOYSA-N
XLogP3.03
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 971438) is 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is COc1ccc(C)c(Cn2c(-c3nonc3N)nc3ccccc32)c1.
What is the InChIKey of 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is LGWVROJHLSSHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-7-8-13(24-2)9-12(11)10-23-15-6-4-3-5-14(15)20-18(23)16-17(19)22-25-21-16/h3-9H,10H2,1-2H3,(H2,19,22).
What are the key properties of 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 335.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methoxy-2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 971438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).