2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile

C22H22ClN5 — CID 84745710

IUPAC2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESCn1c(-c2ccccc2)nc(C(C#N)N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C22H22ClN5/c1-26-21(23)20(25-22(26)17-8-4-2-5-9-17)19(16-24)28-14-12-27(13-15-28)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
InChIKeyPOLSSXOPOKPTBT-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.13
Rot. Bonds4

About 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (PubChem CID 84745710) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
PubChem CID84745710
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
SMILESCn1c(-c2ccccc2)nc(C(C#N)N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C22H22ClN5/c1-26-21(23)20(25-22(26)17-8-4-2-5-9-17)19(16-24)28-14-12-27(13-15-28)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
InChIKeyPOLSSXOPOKPTBT-UHFFFAOYSA-N
XLogP4.13
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile (CID 84745710) is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is Cn1c(-c2ccccc2)nc(C(C#N)N2CCN(c3ccccc3)CC2)c1Cl.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
The InChIKey is POLSSXOPOKPTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-26-21(23)20(25-22(26)17-8-4-2-5-9-17)19(16-24)28-14-12-27(13-15-28)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3.
What are the key properties of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile?
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile has a molecular weight of 391.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84745710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).