N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine

C18H20N4S — CID 148920925

IUPACN-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
SMILESCN(C)N=C(c1sccc1CCc1ccccc1)n1ccnc1
InChIInChI=1S/C18H20N4S/c1-21(2)20-18(22-12-11-19-14-22)17-16(10-13-23-17)9-8-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3
InChIKeyCRVRISHZPZWGOI-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.50
Rot. Bonds5

About N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine

N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine (PubChem CID 148920925) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
PubChem CID148920925
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine
SMILESCN(C)N=C(c1sccc1CCc1ccccc1)n1ccnc1
InChIInChI=1S/C18H20N4S/c1-21(2)20-18(22-12-11-19-14-22)17-16(10-13-23-17)9-8-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3
InChIKeyCRVRISHZPZWGOI-UHFFFAOYSA-N
XLogP3.50
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine (CID 148920925) is N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine is CN(C)N=C(c1sccc1CCc1ccccc1)n1ccnc1.
What is the InChIKey of N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine?
The InChIKey is CRVRISHZPZWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-21(2)20-18(22-12-11-19-14-22)17-16(10-13-23-17)9-8-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3.
What are the key properties of N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine?
N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine has a molecular weight of 324.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[imidazol-1-yl-[3-(2-phenylethyl)thiophen-2-yl]methylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 148920925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).