4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile

C23H20N6 — CID 167429340

IUPAC4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(-c2ncc(CCN)cn2)c(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C23H20N6/c24-9-8-18-14-27-22(28-15-18)21-7-6-17(13-25)12-20(21)16-29-11-10-26-23(29)19-4-2-1-3-5-19/h1-7,10-12,14-15H,8-9,16,24H2
InChIKeyBDEKQNPDMOUTSX-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.43
Rot. Bonds6

About 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile

4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile (PubChem CID 167429340) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
PubChem CID167429340
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(-c2ncc(CCN)cn2)c(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C23H20N6/c24-9-8-18-14-27-22(28-15-18)21-7-6-17(13-25)12-20(21)16-29-11-10-26-23(29)19-4-2-1-3-5-19/h1-7,10-12,14-15H,8-9,16,24H2
InChIKeyBDEKQNPDMOUTSX-UHFFFAOYSA-N
XLogP3.43
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429823
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)oxybenzonitrile
CID 167429065
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]benzonitrile
CID 167429738
5-[2-[5-(2-aminoethyl)pyrimidin-2-yl]-5-cyanophenyl]sulfanyl-2-phenyl-1,3-thiazole-4-carbonitrile
CID 167429979
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-(6-phenylpyridazin-4-yl)sulfinylbenzonitrile
CID 167429505
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
4-[6-(2-aminoethyl)-3-pyridinyl]-3-[(4-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429145
4-[5-[(1S)-2-amino-1-hydroxyethyl]pyrimidin-2-yl]-3-[[4-(3-fluorophenyl)-2-methylimidazol-1-yl]methyl]benzonitrile
CID 167429715
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]oxybenzonitrile
CID 167429650
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile (CID 167429340) is 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(-c2ncc(CCN)cn2)c(Cn2ccnc2-c2ccccc2)c1.
What is the InChIKey of 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is BDEKQNPDMOUTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c24-9-8-18-14-27-22(28-15-18)21-7-6-17(13-25)12-20(21)16-29-11-10-26-23(29)19-4-2-1-3-5-19/h1-7,10-12,14-15H,8-9,16,24H2.
What are the key properties of 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile has a molecular weight of 380.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 167429340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).