2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole

C28H28N6O — CID 77449174

IUPAC2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
SMILESc1cc(-c2cc3cc(-c4cnc(C5CCCN5)[nH]4)ccc3o2)ccc1-c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C28H28N6O/c1-3-21(29-11-1)27-31-15-23(33-27)17-5-7-18(8-6-17)26-14-20-13-19(9-10-25(20)35-26)24-16-32-28(34-24)22-4-2-12-30-22/h5-10,13-16,21-22,29-30H,1-4,11-12H2,(H,31,33)(H,32,34)
InChIKeyLQDFANGNPJUOPQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.73
Rot. Bonds5

About 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole

2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole (PubChem CID 77449174) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
PubChem CID77449174
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
SMILESc1cc(-c2cc3cc(-c4cnc(C5CCCN5)[nH]4)ccc3o2)ccc1-c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C28H28N6O/c1-3-21(29-11-1)27-31-15-23(33-27)17-5-7-18(8-6-17)26-14-20-13-19(9-10-25(20)35-26)24-16-32-28(34-24)22-4-2-12-30-22/h5-10,13-16,21-22,29-30H,1-4,11-12H2,(H,31,33)(H,32,34)
InChIKeyLQDFANGNPJUOPQ-UHFFFAOYSA-N
XLogP5.73
TPSA94.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-(5-pyrrolidin-2-yl-1H-pyrrol-2-yl)phenyl]-1,3-benzoxazole
CID 70142846
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
CID 116877525
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650666
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-[(2S)-pyrrolidin-2-yl]-5-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172682436
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole (CID 77449174) is 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole is c1cc(-c2cc3cc(-c4cnc(C5CCCN5)[nH]4)ccc3o2)ccc1-c1cnc(C2CCCN2)[nH]1.
What is the InChIKey of 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
The InChIKey is LQDFANGNPJUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-3-21(29-11-1)27-31-15-23(33-27)17-5-7-18(8-6-17)26-14-20-13-19(9-10-25(20)35-26)24-16-32-28(34-24)22-4-2-12-30-22/h5-10,13-16,21-22,29-30H,1-4,11-12H2,(H,31,33)(H,32,34).
What are the key properties of 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole?
2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole has a molecular weight of 464.57 g/mol, XLogP of 5.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 77449174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).