4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole

C16H21N3 — CID 43650699

IUPAC4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
SMILESCC(C)c1[nH]c(C2CCCN2)nc1-c1ccccc1
InChIInChI=1S/C16H21N3/c1-11(2)14-15(12-7-4-3-5-8-12)19-16(18-14)13-9-6-10-17-13/h3-5,7-8,11,13,17H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyHFUUCKOKFOFBNR-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.62
Rot. Bonds3

About 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole

4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 43650699) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID43650699
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
SMILESCC(C)c1[nH]c(C2CCCN2)nc1-c1ccccc1
InChIInChI=1S/C16H21N3/c1-11(2)14-15(12-7-4-3-5-8-12)19-16(18-14)13-9-6-10-17-13/h3-5,7-8,11,13,17H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyHFUUCKOKFOFBNR-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole (CID 43650699) is 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole is CC(C)c1[nH]c(C2CCCN2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is HFUUCKOKFOFBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)14-15(12-7-4-3-5-8-12)19-16(18-14)13-9-6-10-17-13/h3-5,7-8,11,13,17H,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 255.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 43650699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).