1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine

C14H17N5O2 — CID 106406007

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(OC(C)C)cccc32)no1
InChIInChI=1S/C14H17N5O2/c1-8(2)20-11-6-4-5-10-13(11)17-14(15)19(10)7-12-16-9(3)21-18-12/h4-6,8H,7H2,1-3H3,(H2,15,17)
InChIKeySNPGAKMSYAYILD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.15
Rot. Bonds4

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine (PubChem CID 106406007) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
PubChem CID106406007
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3c(OC(C)C)cccc32)no1
InChIInChI=1S/C14H17N5O2/c1-8(2)20-11-6-4-5-10-13(11)17-14(15)19(10)7-12-16-9(3)21-18-12/h4-6,8H,7H2,1-3H3,(H2,15,17)
InChIKeySNPGAKMSYAYILD-UHFFFAOYSA-N
XLogP2.15
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine (CID 106406007) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine is Cc1nc(Cn2c(N)nc3c(OC(C)C)cccc32)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine?
The InChIKey is SNPGAKMSYAYILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8(2)20-11-6-4-5-10-13(11)17-14(15)19(10)7-12-16-9(3)21-18-12/h4-6,8H,7H2,1-3H3,(H2,15,17).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine is sourced from PubChem (CID 106406007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).