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

C19H24ClN5 — CID 84745544

IUPAC2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
SMILESCC(C)N1CCN(C(C#N)c2nc(-c3ccccc3)n(C)c2Cl)CC1
InChIInChI=1S/C19H24ClN5/c1-14(2)24-9-11-25(12-10-24)16(13-21)17-18(20)23(3)19(22-17)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3
InChIKeyWMHBDWJDPREWKK-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.33
Rot. Bonds4

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

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile (PubChem CID 84745544) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
PubChem CID84745544
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
SMILESCC(C)N1CCN(C(C#N)c2nc(-c3ccccc3)n(C)c2Cl)CC1
InChIInChI=1S/C19H24ClN5/c1-14(2)24-9-11-25(12-10-24)16(13-21)17-18(20)23(3)19(22-17)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3
InChIKeyWMHBDWJDPREWKK-UHFFFAOYSA-N
XLogP3.33
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
CID 84744481
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetonitrile
CID 84745710
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84744768
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745698
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745726
2-(2-phenyl-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84744367
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84745697
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
CID 84745575
2-(5-chloro-1,2-dimethylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)acetonitrile
CID 84744706
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid
CID 84743858

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile (CID 84745544) is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile is CC(C)N1CCN(C(C#N)c2nc(-c3ccccc3)n(C)c2Cl)CC1.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
The InChIKey is WMHBDWJDPREWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5/c1-14(2)24-9-11-25(12-10-24)16(13-21)17-18(20)23(3)19(22-17)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3.
What are the key properties of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile?
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile has a molecular weight of 357.89 g/mol, XLogP of 3.33, 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-propan-2-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84745544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).