N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C17H23N5O — CID 146081722

IUPACN,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc2c(-c3noc(CN(C)CC(C)(C)C)n3)cccc2[nH]1
InChIInChI=1S/C17H23N5O/c1-11-18-13-8-6-7-12(15(13)19-11)16-20-14(23-21-16)9-22(5)10-17(2,3)4/h6-8H,9-10H2,1-5H3,(H,18,19)
InChIKeyPTJQNBCUZUEWMV-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.40
Rot. Bonds4

About N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 146081722) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID146081722
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc2c(-c3noc(CN(C)CC(C)(C)C)n3)cccc2[nH]1
InChIInChI=1S/C17H23N5O/c1-11-18-13-8-6-7-12(15(13)19-11)16-20-14(23-21-16)9-22(5)10-17(2,3)4/h6-8H,9-10H2,1-5H3,(H,18,19)
InChIKeyPTJQNBCUZUEWMV-UHFFFAOYSA-N
XLogP3.40
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 139019236
N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 167812405
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267
4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 139019206
N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 167809122
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 91836620
N'-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methylpropane-1,3-diamine
CID 81494113
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 35881185
N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 38511433
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70914004
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
CID 83874207

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 146081722) is N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is Cc1nc2c(-c3noc(CN(C)CC(C)(C)C)n3)cccc2[nH]1.
What is the InChIKey of N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is PTJQNBCUZUEWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-18-13-8-6-7-12(15(13)19-11)16-20-14(23-21-16)9-22(5)10-17(2,3)4/h6-8H,9-10H2,1-5H3,(H,18,19).
What are the key properties of N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 313.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 146081722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).