1-(3-phenylpropyl)-4,5-dihydroimidazole

C12H16N2 — CID 141497895

IUPAC1-(3-phenylpropyl)-4,5-dihydroimidazole
SMILESC1=NCCN1CCCc1ccccc1
InChIInChI=1S/C12H16N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-3,5-6,11H,4,7-10H2
InChIKeyPEJHEBMIRNUFGU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.96
Rot. Bonds4

About 1-(3-phenylpropyl)-4,5-dihydroimidazole

1-(3-phenylpropyl)-4,5-dihydroimidazole (PubChem CID 141497895) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4,5-dihydroimidazole
PubChem CID141497895
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(3-phenylpropyl)-4,5-dihydroimidazole
SMILESC1=NCCN1CCCc1ccccc1
InChIInChI=1S/C12H16N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-3,5-6,11H,4,7-10H2
InChIKeyPEJHEBMIRNUFGU-UHFFFAOYSA-N
XLogP1.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole
CID 174929488
1-(4-bromobutyl)-4,5-dihydroimidazole
CID 22169371
4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
CID 54327402
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
zinc butylbenzene
CID 563257
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
CID 155275362

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(3-phenylpropyl)-4,5-dihydroimidazole (CID 141497895) is 1-(3-phenylpropyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3-phenylpropyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(3-phenylpropyl)-4,5-dihydroimidazole is C1=NCCN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-4,5-dihydroimidazole?
The InChIKey is PEJHEBMIRNUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-5-12(6-3-1)7-4-9-14-10-8-13-11-14/h1-3,5-6,11H,4,7-10H2.
What are the key properties of 1-(3-phenylpropyl)-4,5-dihydroimidazole?
1-(3-phenylpropyl)-4,5-dihydroimidazole has a molecular weight of 188.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4,5-dihydroimidazole is sourced from PubChem (CID 141497895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).