4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol

C20H23N3O2 — CID 143577939

IUPAC4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol
SMILESC=C(O)CCc1ccc(-c2cc(CNc3nc(C)c(C)[nH]3)co2)cc1
InChIInChI=1S/C20H23N3O2/c1-13(24)4-5-16-6-8-18(9-7-16)19-10-17(12-25-19)11-21-20-22-14(2)15(3)23-20/h6-10,12,24H,1,4-5,11H2,2-3H3,(H2,21,22,23)
InChIKeyARRVVHGIAKSBPT-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.90
Rot. Bonds7

About 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol

4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol (PubChem CID 143577939) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol.

Molecular Properties

Compound Name4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol
PubChem CID143577939
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol
SMILESC=C(O)CCc1ccc(-c2cc(CNc3nc(C)c(C)[nH]3)co2)cc1
InChIInChI=1S/C20H23N3O2/c1-13(24)4-5-16-6-8-18(9-7-16)19-10-17(12-25-19)11-21-20-22-14(2)15(3)23-20/h6-10,12,24H,1,4-5,11H2,2-3H3,(H2,21,22,23)
InChIKeyARRVVHGIAKSBPT-UHFFFAOYSA-N
XLogP4.90
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol?
The IUPAC name of 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol (CID 143577939) is 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol.
What is the SMILES notation for 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol?
The canonical SMILES for 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol is C=C(O)CCc1ccc(-c2cc(CNc3nc(C)c(C)[nH]3)co2)cc1.
What is the InChIKey of 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol?
The InChIKey is ARRVVHGIAKSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(24)4-5-16-6-8-18(9-7-16)19-10-17(12-25-19)11-21-20-22-14(2)15(3)23-20/h6-10,12,24H,1,4-5,11H2,2-3H3,(H2,21,22,23).
What are the key properties of 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol?
4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol has a molecular weight of 337.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[(4,5-dimethyl-1H-imidazol-2-yl)amino]methyl]furan-2-yl]phenyl]but-1-en-2-ol is sourced from PubChem (CID 143577939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).