N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H14ClN5O — CID 120971323

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H14ClN5O/c1-19-7-6-15-13(19)16-8-11-17-12(18-20-11)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyOIPNEWINXAYXSX-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.78
Rot. Bonds3

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971323) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971323
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C13H14ClN5O/c1-19-7-6-15-13(19)16-8-11-17-12(18-20-11)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H,15,16)
InChIKeyOIPNEWINXAYXSX-UHFFFAOYSA-N
XLogP1.78
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-difluoroaniline
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[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
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5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971323) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OIPNEWINXAYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-19-7-6-15-13(19)16-8-11-17-12(18-20-11)9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H,15,16).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 291.74 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).