3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile

C20H18N6 — CID 57456733

IUPAC3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)c2)nc2ncccn12
InChIInChI=1S/C20H18N6/c1-2-5-18-17(24-20-23-8-4-10-26(18)20)14-25-11-9-22-19(25)16-7-3-6-15(12-16)13-21/h3-4,6-12H,2,5,14H2,1H3
InChIKeyWVZQKODZQMHHDL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.47
Rot. Bonds5

About 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile

3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile (PubChem CID 57456733) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile
PubChem CID57456733
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)c2)nc2ncccn12
InChIInChI=1S/C20H18N6/c1-2-5-18-17(24-20-23-8-4-10-26(18)20)14-25-11-9-22-19(25)16-7-3-6-15(12-16)13-21/h3-4,6-12H,2,5,14H2,1H3
InChIKeyWVZQKODZQMHHDL-UHFFFAOYSA-N
XLogP3.47
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile?
The IUPAC name of 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile (CID 57456733) is 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile is CCCc1c(Cn2ccnc2-c2cccc(C#N)c2)nc2ncccn12.
What is the InChIKey of 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile?
The InChIKey is WVZQKODZQMHHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-5-18-17(24-20-23-8-4-10-26(18)20)14-25-11-9-22-19(25)16-7-3-6-15(12-16)13-21/h3-4,6-12H,2,5,14H2,1H3.
What are the key properties of 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile?
3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile has a molecular weight of 342.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-propylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]benzonitrile is sourced from PubChem (CID 57456733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).