5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole

C17H23N3 — CID 116877522

IUPAC5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESCc1ccc(C(C)C)cc1-c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C17H23N3/c1-11(2)13-7-6-12(3)14(9-13)16-10-19-17(20-16)15-5-4-8-18-15/h6-7,9-11,15,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyDTQROXCSJJMTKM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.93
Rot. Bonds3

About 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole

5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 116877522) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID116877522
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESCc1ccc(C(C)C)cc1-c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C17H23N3/c1-11(2)13-7-6-12(3)14(9-13)16-10-19-17(20-16)15-5-4-8-18-15/h6-7,9-11,15,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyDTQROXCSJJMTKM-UHFFFAOYSA-N
XLogP3.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 138691138
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 43650697
2-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine
CID 59481316
6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
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-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole (CID 116877522) is 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole is Cc1ccc(C(C)C)cc1-c1cnc(C2CCCN2)[nH]1.
What is the InChIKey of 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is DTQROXCSJJMTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11(2)13-7-6-12(3)14(9-13)16-10-19-17(20-16)15-5-4-8-18-15/h6-7,9-11,15,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 269.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 116877522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).