3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile

C26H27N3 — CID 59715253

IUPAC3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCN=C1c1ccccc1CCc1cccc2ccccc12
InChIInChI=1S/C26H27N3/c1-2-23(16-17-27)29-19-18-28-26(29)25-13-6-4-9-22(25)15-14-21-11-7-10-20-8-3-5-12-24(20)21/h3-13,23H,2,14-16,18-19H2,1H3
InChIKeyVFVBTZXTLSUKEU-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.38
Rot. Bonds7

About 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile

3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile (PubChem CID 59715253) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile
PubChem CID59715253
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCN=C1c1ccccc1CCc1cccc2ccccc12
InChIInChI=1S/C26H27N3/c1-2-23(16-17-27)29-19-18-28-26(29)25-13-6-4-9-22(25)15-14-21-11-7-10-20-8-3-5-12-24(20)21/h3-13,23H,2,14-16,18-19H2,1H3
InChIKeyVFVBTZXTLSUKEU-UHFFFAOYSA-N
XLogP5.38
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-naphthalen-1-ylethyl)-2-(1-propan-2-yl-4,5-dihydroimidazol-2-yl)pyridine
CID 11709917
2-[2-[2-(3-bromonaphthalen-1-yl)ethyl]-3-fluorophenyl]-1-propan-2-yl-4,5-dihydroimidazole
CID 59715360
1-methyl-2-[3-methyl-2-(2-naphthalen-1-ylethyl)phenyl]-5,6-dihydro-4H-pyrimidine
CID 143153329
3-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]propanal
CID 117308217
1-(3-chloropentyl)naphthalene
CID 63460195
1-ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
CID 46887469
1-naphthalen-1-ylpentan-3-ol
CID 2793924
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
methanamine;1-propylnaphthalene
CID 174438724
5-(1-methyl-4,5-dihydroimidazol-2-yl)-6-(2-naphthalen-1-ylethyl)cyclohexa-2,4-dien-1-ol
CID 143152975
2-(3-naphthalen-1-ylpropyl)propanedinitrile
CID 19955544

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile?
The IUPAC name of 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile (CID 59715253) is 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile.
What is the SMILES notation for 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile?
The canonical SMILES for 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile is CCC(CC#N)N1CCN=C1c1ccccc1CCc1cccc2ccccc12.
What is the InChIKey of 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile?
The InChIKey is VFVBTZXTLSUKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-2-23(16-17-27)29-19-18-28-26(29)25-13-6-4-9-22(25)15-14-21-11-7-10-20-8-3-5-12-24(20)21/h3-13,23H,2,14-16,18-19H2,1H3.
What are the key properties of 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile?
3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile has a molecular weight of 381.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]pentanenitrile is sourced from PubChem (CID 59715253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).