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

C22H18N6 — CID 167429823

IUPAC4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(-c2ncc(CN)cn2)c(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C22H18N6/c23-11-16-6-7-20(21-26-13-17(12-24)14-27-21)19(10-16)15-28-9-8-25-22(28)18-4-2-1-3-5-18/h1-10,13-14H,12,15,24H2
InChIKeyMFEKFVWDTFRCRQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.39
Rot. Bonds5

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

4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile (PubChem CID 167429823) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
PubChem CID167429823
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(-c2ncc(CN)cn2)c(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C22H18N6/c23-11-16-6-7-20(21-26-13-17(12-24)14-27-21)19(10-16)15-28-9-8-25-22(28)18-4-2-1-3-5-18/h1-10,13-14H,12,15,24H2
InChIKeyMFEKFVWDTFRCRQ-UHFFFAOYSA-N
XLogP3.39
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2-aminoethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429340
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[1-methyl-3-(1-methylimidazol-2-yl)pyrazol-5-yl]oxybenzonitrile
CID 167429460
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
4-[5-[(1S)-2-amino-1-hydroxyethyl]pyrimidin-2-yl]-3-[[4-(3-fluorophenyl)-2-methylimidazol-1-yl]methyl]benzonitrile
CID 167429715
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561625
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
CID 155910347
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-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile (CID 167429823) is 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(-c2ncc(CN)cn2)c(Cn2ccnc2-c2ccccc2)c1.
What is the InChIKey of 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is MFEKFVWDTFRCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c23-11-16-6-7-20(21-26-13-17(12-24)14-27-21)19(10-16)15-28-9-8-25-22(28)18-4-2-1-3-5-18/h1-10,13-14H,12,15,24H2.
What are the key properties of 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile has a molecular weight of 366.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 167429823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).