5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole

C17H23N3 — CID 110104616

IUPAC5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
SMILESCc1cnc(C2CCN(CCCc3ccccc3)C2)[nH]1
InChIInChI=1S/C17H23N3/c1-14-12-18-17(19-14)16-9-11-20(13-16)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)
InChIKeyRMNFMXJPZLENLZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds5

About 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole

5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole (PubChem CID 110104616) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
PubChem CID110104616
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
SMILESCc1cnc(C2CCN(CCCc3ccccc3)C2)[nH]1
InChIInChI=1S/C17H23N3/c1-14-12-18-17(19-14)16-9-11-20(13-16)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19)
InChIKeyRMNFMXJPZLENLZ-UHFFFAOYSA-N
XLogP3.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
CID 125019244
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
CID 125013337
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124960108
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole?
The IUPAC name of 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole (CID 110104616) is 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole?
The canonical SMILES for 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole is Cc1cnc(C2CCN(CCCc3ccccc3)C2)[nH]1.
What is the InChIKey of 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole?
The InChIKey is RMNFMXJPZLENLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-12-18-17(19-14)16-9-11-20(13-16)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,18,19).
What are the key properties of 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole?
5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole has a molecular weight of 269.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole is sourced from PubChem (CID 110104616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).