N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

C19H25N3OS — CID 16676844

IUPACN-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1
InChIInChI=1S/C19H25N3OS/c1-3-17-6-7-18(23-17)13-22(14-19-8-5-16(2)24-19)11-4-10-21-12-9-20-15-21/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3
InChIKeyVNNALVAURUFXHW-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.50
Rot. Bonds9

About N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 16676844) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID16676844
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1
InChIInChI=1S/C19H25N3OS/c1-3-17-6-7-18(23-17)13-22(14-19-8-5-16(2)24-19)11-4-10-21-12-9-20-15-21/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3
InChIKeyVNNALVAURUFXHW-UHFFFAOYSA-N
XLogP4.50
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 16676844) is N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is CCc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is VNNALVAURUFXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-17-6-7-18(23-17)13-22(14-19-8-5-16(2)24-19)11-4-10-21-12-9-20-15-21/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 343.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).