1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole

C22H23N5O — CID 50949777

IUPAC1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
SMILESc1ccc(-c2ncn(CC(c3ccco3)N3CCCC3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C22H23N5O/c1-2-7-17(8-3-1)20-21(22-23-10-11-24-22)27(16-25-20)15-18(19-9-6-14-28-19)26-12-4-5-13-26/h1-3,6-11,14,16,18H,4-5,12-13,15H2,(H,23,24)
InChIKeyQFXRMXIVRMDKBK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.37
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole (PubChem CID 50949777) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
PubChem CID50949777
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole
SMILESc1ccc(-c2ncn(CC(c3ccco3)N3CCCC3)c2-c2ncc[nH]2)cc1
InChIInChI=1S/C22H23N5O/c1-2-7-17(8-3-1)20-21(22-23-10-11-24-22)27(16-25-20)15-18(19-9-6-14-28-19)26-12-4-5-13-26/h1-3,6-11,14,16,18H,4-5,12-13,15H2,(H,23,24)
InChIKeyQFXRMXIVRMDKBK-UHFFFAOYSA-N
XLogP4.37
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
3-[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
CID 134611728
7-(Furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 1312086
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboximidamide
CID 11739527
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
N-benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 808816
2-(furan-2-yl)-6-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 4337112
2-(furan-2-yl)-6-methyl-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 7066851
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16329874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole (CID 50949777) is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole is c1ccc(-c2ncn(CC(c3ccco3)N3CCCC3)c2-c2ncc[nH]2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
The InChIKey is QFXRMXIVRMDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-7-17(8-3-1)20-21(22-23-10-11-24-22)27(16-25-20)15-18(19-9-6-14-28-19)26-12-4-5-13-26/h1-3,6-11,14,16,18H,4-5,12-13,15H2,(H,23,24).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole?
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole has a molecular weight of 373.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(1H-imidazol-2-yl)-4-phenylimidazole is sourced from PubChem (CID 50949777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).