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

C22H26ClN5 — CID 84745726

IUPAC2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCn1c(-c2ccccc2)nc(C(CN)N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C22H26ClN5/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,12-16,24H2,1H3
InChIKeyBLKLQAQYGIPRLY-UHFFFAOYSA-N
MW395.94 g/mol
LogP3.56
Rot. Bonds5

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

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 84745726) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID84745726
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCn1c(-c2ccccc2)nc(C(CN)N2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C22H26ClN5/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,12-16,24H2,1H3
InChIKeyBLKLQAQYGIPRLY-UHFFFAOYSA-N
XLogP3.56
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-pyrrolidin-1-ylethanamine
CID 84743596
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethanamine
CID 84745611
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84745436
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743590
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetonitrile
CID 84745544
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-piperidin-1-ylacetonitrile
CID 84744481
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
5-chloro-1-methyl-2-phenylimidazol-4-amine
CID 23064487

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine (CID 84745726) is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine is Cn1c(-c2ccccc2)nc(C(CN)N2CCN(c3ccccc3)CC2)c1Cl.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is BLKLQAQYGIPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/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,12-16,24H2,1H3.
What are the key properties of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine?
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 395.94 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 84745726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).