N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine

C19H24N4OS — CID 46994291

IUPACN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOCCn1ccnc1CN(Cc1ccccn1)Cc1sccc1C
InChIInChI=1S/C19H24N4OS/c1-16-6-12-25-18(16)14-22(13-17-5-3-4-7-20-17)15-19-21-8-9-23(19)10-11-24-2/h3-9,12H,10-11,13-15H2,1-2H3
InChIKeyRDNPPNDECGLTON-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.50
Rot. Bonds9

About N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 46994291) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID46994291
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOCCn1ccnc1CN(Cc1ccccn1)Cc1sccc1C
InChIInChI=1S/C19H24N4OS/c1-16-6-12-25-18(16)14-22(13-17-5-3-4-7-20-17)15-19-21-8-9-23(19)10-11-24-2/h3-9,12H,10-11,13-15H2,1-2H3
InChIKeyRDNPPNDECGLTON-UHFFFAOYSA-N
XLogP3.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine (CID 46994291) is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine is COCCn1ccnc1CN(Cc1ccccn1)Cc1sccc1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is RDNPPNDECGLTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-16-6-12-25-18(16)14-22(13-17-5-3-4-7-20-17)15-19-21-8-9-23(19)10-11-24-2/h3-9,12H,10-11,13-15H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 356.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 46994291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).