2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

C57H64N10 — CID 91341746

IUPAC2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
SMILESCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1.Cc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc(-c3nc([C@@H]4CCCN4)[nH]c3C)cc2)cc1
InChIInChI=1S/C29H33N5.C28H31N5/c1-18-26(33-28(31-18)24-6-3-4-7-24)22-13-9-20(10-14-22)21-11-15-23(16-12-21)27-19(2)32-29(34-27)25-8-5-17-30-25;1-18-26(33-27(31-18)23-5-2-3-6-23)22-14-10-20(11-15-22)19-8-12-21(13-9-19)25-17-30-28(32-25)24-7-4-16-29-24/h9-16,24-25,30H,3-8,17H2,1-2H3,(H,31,33)(H,32,34);8-15,17,23-24,29H,2-7,16H2,1H3,(H,30,32)(H,31,33)/t25-;24-/m00/s1
InChIKeyKEIMKLDWIYRQLB-QJMKMGGPSA-N
MW889.21 g/mol
LogP13.36
Rot. Bonds10

About 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole

2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (PubChem CID 91341746) has the molecular formula C57H64N10 and a molecular weight of 889.21 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
PubChem CID91341746
Molecular FormulaC57H64N10
Molecular Weight889.21 g/mol
Exact Mass888.53
IUPAC Name2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
SMILESCc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1.Cc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc(-c3nc([C@@H]4CCCN4)[nH]c3C)cc2)cc1
InChIInChI=1S/C29H33N5.C28H31N5/c1-18-26(33-28(31-18)24-6-3-4-7-24)22-13-9-20(10-14-22)21-11-15-23(16-12-21)27-19(2)32-29(34-27)25-8-5-17-30-25;1-18-26(33-27(31-18)23-5-2-3-6-23)22-14-10-20(11-15-22)19-8-12-21(13-9-19)25-17-30-28(32-25)24-7-4-16-29-24/h9-16,24-25,30H,3-8,17H2,1-2H3,(H,31,33)(H,32,34);8-15,17,23-24,29H,2-7,16H2,1H3,(H,30,32)(H,31,33)/t25-;24-/m00/s1
InChIKeyKEIMKLDWIYRQLB-QJMKMGGPSA-N
XLogP13.36
TPSA138.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.21
LogP ≤ 513.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The IUPAC name of 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole (CID 91341746) is 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is Cc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1.Cc1[nH]c(C2CCCC2)nc1-c1ccc(-c2ccc(-c3nc([C@@H]4CCCN4)[nH]c3C)cc2)cc1.
What is the InChIKey of 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
The InChIKey is KEIMKLDWIYRQLB-QJMKMGGPSA-N. The full InChI is InChI=1S/C29H33N5.C28H31N5/c1-18-26(33-28(31-18)24-6-3-4-7-24)22-13-9-20(10-14-22)21-11-15-23(16-12-21)27-19(2)32-29(34-27)25-8-5-17-30-25;1-18-26(33-27(31-18)23-5-2-3-6-23)22-14-10-20(11-15-22)19-8-12-21(13-9-19)25-17-30-28(32-25)24-7-4-16-29-24/h9-16,24-25,30H,3-8,17H2,1-2H3,(H,31,33)(H,32,34);8-15,17,23-24,29H,2-7,16H2,1H3,(H,30,32)(H,31,33)/t25-;24-/m00/s1.
What are the key properties of 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole?
2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole has a molecular weight of 889.21 g/mol, XLogP of 13.36, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 91341746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).