(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine

C12H17N3OS — CID 81124282

IUPAC(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1sccc1OC
InChIInChI=1S/C12H17N3OS/c1-3-6-15-7-5-14-12(15)10(13)11-9(16-2)4-8-17-11/h4-5,7-8,10H,3,6,13H2,1-2H3
InChIKeyFCGREVOUZWAXBD-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.41
Rot. Bonds5

About (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine

(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 81124282) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine
PubChem CID81124282
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1sccc1OC
InChIInChI=1S/C12H17N3OS/c1-3-6-15-7-5-14-12(15)10(13)11-9(16-2)4-8-17-11/h4-5,7-8,10H,3,6,13H2,1-2H3
InChIKeyFCGREVOUZWAXBD-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine (CID 81124282) is (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)c1sccc1OC.
What is the InChIKey of (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is FCGREVOUZWAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-6-15-7-5-14-12(15)10(13)11-9(16-2)4-8-17-11/h4-5,7-8,10H,3,6,13H2,1-2H3.
What are the key properties of (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine?
(3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 81124282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).