2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine

C17H23N3 — CID 43651056

IUPAC2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)c1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1
InChIInChI=1S/C17H23N3/c1-12(2)13-6-8-14(9-7-13)16-11-19-17(20-16)15-5-3-4-10-18-15/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyFAKWKEZBRWRFJN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.01
Rot. Bonds3

About 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine

2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43651056) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43651056
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)c1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1
InChIInChI=1S/C17H23N3/c1-12(2)13-6-8-14(9-7-13)16-11-19-17(20-16)15-5-3-4-10-18-15/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyFAKWKEZBRWRFJN-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
CID 144634079
CID 144634079
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 116877522
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64570578
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-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrazine
CID 59481316
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine (CID 43651056) is 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine is CC(C)c1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1.
What is the InChIKey of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is FAKWKEZBRWRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)13-6-8-14(9-7-13)16-11-19-17(20-16)15-5-3-4-10-18-15/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine?
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43651056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).