3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile

C18H18N4O — CID 25032493

IUPAC3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile
SMILESN#Cc1cccc(CC(NC2=NCCN2)c2ccc(O)cc2)c1
InChIInChI=1S/C18H18N4O/c19-12-14-3-1-2-13(10-14)11-17(22-18-20-8-9-21-18)15-4-6-16(23)7-5-15/h1-7,10,17,23H,8-9,11H2,(H2,20,21,22)
InChIKeyRAUVUVRCWDHDRR-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.10
Rot. Bonds4

About 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile

3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile (PubChem CID 25032493) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile
PubChem CID25032493
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile
SMILESN#Cc1cccc(CC(NC2=NCCN2)c2ccc(O)cc2)c1
InChIInChI=1S/C18H18N4O/c19-12-14-3-1-2-13(10-14)11-17(22-18-20-8-9-21-18)15-4-6-16(23)7-5-15/h1-7,10,17,23H,8-9,11H2,(H2,20,21,22)
InChIKeyRAUVUVRCWDHDRR-UHFFFAOYSA-N
XLogP2.10
TPSA80.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-fluorophenyl)-1-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;formic acid
CID 25032490
3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 46195954
3-[[1-[3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluorophenyl]ethenylamino]methyl]benzonitrile
CID 153380020
3-(2-methylpropyl)benzonitrile
CID 19024755
N-[2-(2-bromophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;N-[1-(3-chlorophenyl)-2-(3-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;N-[1-(3-chlorophenyl)-2-phenylethyl]-4,5-dihydro-1H-imidazol-2-amine;3-[2-(2,3-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]phenol;N-[1-(2,3-dichlorophenyl)-2-(4-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;N-(1,2-diphenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 159699957
3-[(2R)-2-aminopropyl]benzonitrile
CID 130739273
3-(2-methyl-3-oxohexyl)benzonitrile
CID 54500073
3-(2-hydroxyethyl)benzonitrile
CID 14926727
3-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 104922914
3-(2-fluoropropyl)benzonitrile
CID 117276196
3-(phosphanylmethyl)benzonitrile
CID 143041927
3-[1-(4-ethylphenyl)propylamino]benzonitrile
CID 43309948

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile?
The IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile (CID 25032493) is 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile.
What is the SMILES notation for 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile?
The canonical SMILES for 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile is N#Cc1cccc(CC(NC2=NCCN2)c2ccc(O)cc2)c1.
What is the InChIKey of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile?
The InChIKey is RAUVUVRCWDHDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-12-14-3-1-2-13(10-14)11-17(22-18-20-8-9-21-18)15-4-6-16(23)7-5-15/h1-7,10,17,23H,8-9,11H2,(H2,20,21,22).
What are the key properties of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile?
3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-(4-hydroxyphenyl)ethyl]benzonitrile is sourced from PubChem (CID 25032493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).