5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

C27H32N6O — CID 68605498

IUPAC5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESCOC1(c2cnc([C@@H]3CCCN3)[nH]2)C=CC(c2ccccc2)=CC1c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C27H32N6O/c1-34-27(24-17-31-26(33-24)22-10-6-14-29-22)12-11-19(18-7-3-2-4-8-18)15-20(27)23-16-30-25(32-23)21-9-5-13-28-21/h2-4,7-8,11-12,15-17,20-22,28-29H,5-6,9-10,13-14H2,1H3,(H,30,32)(H,31,33)/t20?,21-,22-,27?/m0/s1
InChIKeyOQCZTYXSXPVRLF-PQYNRNFHSA-N
MW456.59 g/mol
LogP4.26
Rot. Bonds6

About 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (PubChem CID 68605498) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
PubChem CID68605498
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESCOC1(c2cnc([C@@H]3CCCN3)[nH]2)C=CC(c2ccccc2)=CC1c1cnc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C27H32N6O/c1-34-27(24-17-31-26(33-24)22-10-6-14-29-22)12-11-19(18-7-3-2-4-8-18)15-20(27)23-16-30-25(32-23)21-9-5-13-28-21/h2-4,7-8,11-12,15-17,20-22,28-29H,5-6,9-10,13-14H2,1H3,(H,30,32)(H,31,33)/t20?,21-,22-,27?/m0/s1
InChIKeyOQCZTYXSXPVRLF-PQYNRNFHSA-N
XLogP4.26
TPSA90.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole with MolForge

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Related Compounds

5-(4-methyloxan-4-yl)-2-pyrrolidin-2-yl-1H-imidazole
CID 115041058
5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
CID 91301281
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650699
ethane;11-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohexyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 144563119
5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 43650697
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095

Frequently Asked Questions

What is the IUPAC name of 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (CID 68605498) is 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is COC1(c2cnc([C@@H]3CCCN3)[nH]2)C=CC(c2ccccc2)=CC1c1cnc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is OQCZTYXSXPVRLF-PQYNRNFHSA-N. The full InChI is InChI=1S/C27H32N6O/c1-34-27(24-17-31-26(33-24)22-10-6-14-29-22)12-11-19(18-7-3-2-4-8-18)15-20(27)23-16-30-25(32-23)21-9-5-13-28-21/h2-4,7-8,11-12,15-17,20-22,28-29H,5-6,9-10,13-14H2,1H3,(H,30,32)(H,31,33)/t20?,21-,22-,27?/m0/s1.
What are the key properties of 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 456.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methoxy-4-phenyl-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-2,4-dien-1-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 68605498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).