2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C19H28ClN5 — CID 84745570

IUPAC2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2c(Cl)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C19H28ClN5/c1-14(2)24-9-11-25(12-10-24)16(13-21)17-18(20)22-19(23(17)3)15-7-5-4-6-8-15/h4-8,14,16H,9-13,21H2,1-3H3
InChIKeyGJOVKCOYFDXEHP-UHFFFAOYSA-N
MW361.92 g/mol
LogP2.77
Rot. Bonds5

About 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 84745570) has the molecular formula C19H28ClN5 and a molecular weight of 361.92 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID84745570
Molecular FormulaC19H28ClN5
Molecular Weight361.92 g/mol
Exact Mass361.20
IUPAC Name2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2c(Cl)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C19H28ClN5/c1-14(2)24-9-11-25(12-10-24)16(13-21)17-18(20)22-19(23(17)3)15-7-5-4-6-8-15/h4-8,14,16H,9-13,21H2,1-3H3
InChIKeyGJOVKCOYFDXEHP-UHFFFAOYSA-N
XLogP2.77
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 84745570) is 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CC(C)N1CCN(C(CN)c2c(Cl)nc(-c3ccccc3)n2C)CC1.
What is the InChIKey of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is GJOVKCOYFDXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5/c1-14(2)24-9-11-25(12-10-24)16(13-21)17-18(20)22-19(23(17)3)15-7-5-4-6-8-15/h4-8,14,16H,9-13,21H2,1-3H3.
What are the key properties of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 361.92 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84745570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).