1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole

C22H24N6O — CID 75594107

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole
SMILESCCn1ccnc1Cn1cnc(-c2ccccc2)c1-c1ccc(C2CCNN2)o1
InChIInChI=1S/C22H24N6O/c1-2-27-13-12-23-20(27)14-28-15-24-21(16-6-4-3-5-7-16)22(28)19-9-8-18(29-19)17-10-11-25-26-17/h3-9,12-13,15,17,25-26H,2,10-11,14H2,1H3
InChIKeyJWTIONAOTIMSMT-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.61
Rot. Bonds6

About 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole

1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole (PubChem CID 75594107) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole
PubChem CID75594107
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole
SMILESCCn1ccnc1Cn1cnc(-c2ccccc2)c1-c1ccc(C2CCNN2)o1
InChIInChI=1S/C22H24N6O/c1-2-27-13-12-23-20(27)14-28-15-24-21(16-6-4-3-5-7-16)22(28)19-9-8-18(29-19)17-10-11-25-26-17/h3-9,12-13,15,17,25-26H,2,10-11,14H2,1H3
InChIKeyJWTIONAOTIMSMT-UHFFFAOYSA-N
XLogP3.61
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole with MolForge

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Related Compounds

2-methyl-5-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyrazine
CID 50952225
4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]pyridine
CID 50974400
4,5-diphenyl-1-propylimidazole
CID 14950648
(3R)-3-[[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 95221780
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
[5-[3-(1H-indol-4-ylmethyl)-5-phenylimidazol-4-yl]furan-2-yl]methanol
CID 50962501
5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
CID 50980964
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole (CID 75594107) is 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole is CCn1ccnc1Cn1cnc(-c2ccccc2)c1-c1ccc(C2CCNN2)o1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole?
The InChIKey is JWTIONAOTIMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-27-13-12-23-20(27)14-28-15-24-21(16-6-4-3-5-7-16)22(28)19-9-8-18(29-19)17-10-11-25-26-17/h3-9,12-13,15,17,25-26H,2,10-11,14H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole?
1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole has a molecular weight of 388.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-4-phenyl-5-(5-pyrazolidin-3-ylfuran-2-yl)imidazole is sourced from PubChem (CID 75594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).