N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine

C15H19N5O — CID 61019367

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
SMILESCCCn1c(CNCc2nc(C)no2)nc2ccccc21
InChIInChI=1S/C15H19N5O/c1-3-8-20-13-7-5-4-6-12(13)18-14(20)9-16-10-15-17-11(2)19-21-15/h4-7,16H,3,8-10H2,1-2H3
InChIKeyPQRKKOGSQSNWDM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.43
Rot. Bonds6

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine (PubChem CID 61019367) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
PubChem CID61019367
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
SMILESCCCn1c(CNCc2nc(C)no2)nc2ccccc21
InChIInChI=1S/C15H19N5O/c1-3-8-20-13-7-5-4-6-12(13)18-14(20)9-16-10-15-17-11(2)19-21-15/h4-7,16H,3,8-10H2,1-2H3
InChIKeyPQRKKOGSQSNWDM-UHFFFAOYSA-N
XLogP2.43
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 106396239
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 107267629
4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380195

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine (CID 61019367) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine is CCCn1c(CNCc2nc(C)no2)nc2ccccc21.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
The InChIKey is PQRKKOGSQSNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-8-20-13-7-5-4-6-12(13)18-14(20)9-16-10-15-17-11(2)19-21-15/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine has a molecular weight of 285.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 61019367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).