2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile

C18H23N5 — CID 84744367

IUPAC2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
SMILESCC(C)N1CCN(C(C#N)c2cnc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C18H23N5/c1-14(2)22-8-10-23(11-9-22)17(12-19)16-13-20-18(21-16)15-6-4-3-5-7-15/h3-7,13-14,17H,8-11H2,1-2H3,(H,20,21)
InChIKeyOEMDIHMSLVVYJH-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile

2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile (PubChem CID 84744367) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
PubChem CID84744367
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
SMILESCC(C)N1CCN(C(C#N)c2cnc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C18H23N5/c1-14(2)22-8-10-23(11-9-22)17(12-19)16-13-20-18(21-16)15-6-4-3-5-7-15/h3-7,13-14,17H,8-11H2,1-2H3,(H,20,21)
InChIKeyOEMDIHMSLVVYJH-UHFFFAOYSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
CID 84745091
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745698
2-(2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
CID 84743499
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745544
(2-phenyl-1H-imidazol-5-yl)methanediol
CID 70125752
1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine
CID 139218624
acetonitrile;copper(1+);tetraphenylboranuide;1,4,7-tri(propan-2-yl)-1,4,7-triazonane
CID 139134201
2-(1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
CID 84742980
N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine
CID 84741656
3-phenyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 167225284
2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
ethane;5-methyl-2-phenyl-1H-imidazole
CID 145236732

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile (CID 84744367) is 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile is CC(C)N1CCN(C(C#N)c2cnc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The InChIKey is OEMDIHMSLVVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14(2)22-8-10-23(11-9-22)17(12-19)16-13-20-18(21-16)15-6-4-3-5-7-15/h3-7,13-14,17H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile has a molecular weight of 309.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84744367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).