2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole

C14H19N3 — CID 82242731

IUPAC2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1CN1CCCC1
InChIInChI=1S/C14H19N3/c1-2-10-17(9-1)11-12-3-5-13(6-4-12)14-15-7-8-16-14/h3-6H,1-2,7-11H2,(H,15,16)
InChIKeyWSARMGPQSUPETJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.63
Rot. Bonds3

About 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole

2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82242731) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82242731
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESc1cc(C2=NCCN2)ccc1CN1CCCC1
InChIInChI=1S/C14H19N3/c1-2-10-17(9-1)11-12-3-5-13(6-4-12)14-15-7-8-16-14/h3-6H,1-2,7-11H2,(H,15,16)
InChIKeyWSARMGPQSUPETJ-UHFFFAOYSA-N
XLogP1.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 82247848
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine
CID 90802411
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
1-[(4-methylphenyl)methyl]azepane
CID 3951815
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 126982323
ethane;3-[4-(piperidin-1-ylmethyl)phenyl]-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 165134884
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 82242731) is 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole is c1cc(C2=NCCN2)ccc1CN1CCCC1.
What is the InChIKey of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WSARMGPQSUPETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-10-17(9-1)11-12-3-5-13(6-4-12)14-15-7-8-16-14/h3-6H,1-2,7-11H2,(H,15,16).
What are the key properties of 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole?
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 229.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82242731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).