4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile

C24H21N5 — CID 167429145

IUPAC4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CCN)nc2)c(Cn2cnc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H21N5/c25-11-10-22-8-7-20(14-27-22)23-9-6-18(13-26)12-21(23)15-29-16-24(28-17-29)19-4-2-1-3-5-19/h1-9,12,14,16-17H,10-11,15,25H2
InChIKeyPELCZDPYUAKICU-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.03
Rot. Bonds6

About 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile

4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile (PubChem CID 167429145) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile
PubChem CID167429145
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CCN)nc2)c(Cn2cnc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H21N5/c25-11-10-22-8-7-20(14-27-22)23-9-6-18(13-26)12-21(23)15-29-16-24(28-17-29)19-4-2-1-3-5-19/h1-9,12,14,16-17H,10-11,15,25H2
InChIKeyPELCZDPYUAKICU-UHFFFAOYSA-N
XLogP4.03
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-aminoethyl)phenyl]-3-[[4-(methoxymethyl)imidazol-1-yl]methyl]benzonitrile
CID 167429610
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429340
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429823
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)oxybenzonitrile
CID 167429065
4-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106717623
1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603
4-[4-(2-aminoethyl)phenyl]-3-[[2-methyl-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 167429716
3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-fluorobenzonitrile
CID 106718650
4-[[6-(2-aminoethyl)-3-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 79799520
4-[4-(2-aminoethyl)phenyl]-3-[3-(3-fluorophenyl)-1-methylpyrazol-5-yl]oxybenzonitrile
CID 167429673
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]benzonitrile
CID 167429738

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile (CID 167429145) is 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(-c2ccc(CCN)nc2)c(Cn2cnc(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is PELCZDPYUAKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c25-11-10-22-8-7-20(14-27-22)23-9-6-18(13-26)12-21(23)15-29-16-24(28-17-29)19-4-2-1-3-5-19/h1-9,12,14,16-17H,10-11,15,25H2.
What are the key properties of 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile?
4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile has a molecular weight of 379.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 167429145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).