4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one

C27H32N4O2 — CID 46338960

IUPAC4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
SMILESCCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N(CCN(C)C)Cc2ccco2)c1
InChIInChI=1S/C27H32N4O2/c1-4-21-12-8-13-23(18-21)31-26(32)25(19-22-10-6-5-7-11-22)28-27(31)30(16-15-29(2)3)20-24-14-9-17-33-24/h5-14,17-18,25H,4,15-16,19-20H2,1-3H3
InChIKeyXAHVWQODPQEBSG-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.22
Rot. Bonds9

About 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one

4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one (PubChem CID 46338960) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
PubChem CID46338960
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
SMILESCCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N(CCN(C)C)Cc2ccco2)c1
InChIInChI=1S/C27H32N4O2/c1-4-21-12-8-13-23(18-21)31-26(32)25(19-22-10-6-5-7-11-22)28-27(31)30(16-15-29(2)3)20-24-14-9-17-33-24/h5-14,17-18,25H,4,15-16,19-20H2,1-3H3
InChIKeyXAHVWQODPQEBSG-UHFFFAOYSA-N
XLogP4.22
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one (CID 46338960) is 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one is CCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N(CCN(C)C)Cc2ccco2)c1.
What is the InChIKey of 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
The InChIKey is XAHVWQODPQEBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-4-21-12-8-13-23(18-21)31-26(32)25(19-22-10-6-5-7-11-22)28-27(31)30(16-15-29(2)3)20-24-14-9-17-33-24/h5-14,17-18,25H,4,15-16,19-20H2,1-3H3.
What are the key properties of 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one has a molecular weight of 444.58 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).