1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole

C17H23N3O — CID 75483244

IUPAC1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
SMILESCOc1ccc(C2CCN(CCCn3ccnc3)C2)cc1
InChIInChI=1S/C17H23N3O/c1-21-17-5-3-15(4-6-17)16-7-11-19(13-16)9-2-10-20-12-8-18-14-20/h3-6,8,12,14,16H,2,7,9-11,13H2,1H3
InChIKeyARXQZBHUOVMGBM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds6

About 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole

1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole (PubChem CID 75483244) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole.

Molecular Properties

Compound Name1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
PubChem CID75483244
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
SMILESCOc1ccc(C2CCN(CCCn3ccnc3)C2)cc1
InChIInChI=1S/C17H23N3O/c1-21-17-5-3-15(4-6-17)16-7-11-19(13-16)9-2-10-20-12-8-18-14-20/h3-6,8,12,14,16H,2,7,9-11,13H2,1H3
InChIKeyARXQZBHUOVMGBM-UHFFFAOYSA-N
XLogP2.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridine
CID 124591492
1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine
CID 154807846
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
3-chloro-1-(3-imidazol-1-ylpropyl)-4-methylpiperidine
CID 102960102
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
1-[3-[3-(2-chloroethyl)pyrrolidin-1-yl]propyl]imidazole
CID 114800577
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole?
The IUPAC name of 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole (CID 75483244) is 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole.
What is the SMILES notation for 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole?
The canonical SMILES for 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole is COc1ccc(C2CCN(CCCn3ccnc3)C2)cc1.
What is the InChIKey of 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole?
The InChIKey is ARXQZBHUOVMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-17-5-3-15(4-6-17)16-7-11-19(13-16)9-2-10-20-12-8-18-14-20/h3-6,8,12,14,16H,2,7,9-11,13H2,1H3.
What are the key properties of 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole?
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole has a molecular weight of 285.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole is sourced from PubChem (CID 75483244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).