N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine

C16H21N5O — CID 91836620

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCCc1nc(CN(C)CCc2nc3c(C)cccc3[nH]2)no1
InChIInChI=1S/C16H21N5O/c1-4-15-18-14(20-22-15)10-21(3)9-8-13-17-12-7-5-6-11(2)16(12)19-13/h5-7H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyRQEPUEFGQJQGRM-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.49
Rot. Bonds6

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 91836620) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID91836620
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCCc1nc(CN(C)CCc2nc3c(C)cccc3[nH]2)no1
InChIInChI=1S/C16H21N5O/c1-4-15-18-14(20-22-15)10-21(3)9-8-13-17-12-7-5-6-11(2)16(12)19-13/h5-7H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyRQEPUEFGQJQGRM-UHFFFAOYSA-N
XLogP2.49
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine (CID 91836620) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine is CCc1nc(CN(C)CCc2nc3c(C)cccc3[nH]2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is RQEPUEFGQJQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-15-18-14(20-22-15)10-21(3)9-8-13-17-12-7-5-6-11(2)16(12)19-13/h5-7H,4,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 299.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 91836620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).