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

C18H26ClN5 — CID 84745436

IUPAC2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2c(Cl)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C18H26ClN5/c1-3-23-9-11-24(12-10-23)15(13-20)16-17(19)21-18(22(16)2)14-7-5-4-6-8-14/h4-8,15H,3,9-13,20H2,1-2H3
InChIKeyVBQSTYMFDKODIJ-UHFFFAOYSA-N
MW347.89 g/mol
LogP2.38
Rot. Bonds5

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

2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 84745436) has the molecular formula C18H26ClN5 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID84745436
Molecular FormulaC18H26ClN5
Molecular Weight347.89 g/mol
Exact Mass347.19
IUPAC Name2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2c(Cl)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C18H26ClN5/c1-3-23-9-11-24(12-10-23)15(13-20)16-17(19)21-18(22(16)2)14-7-5-4-6-8-14/h4-8,15H,3,9-13,20H2,1-2H3
InChIKeyVBQSTYMFDKODIJ-UHFFFAOYSA-N
XLogP2.38
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
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-ethylpiperazin-1-yl)-N-methylethanamine
CID 84745575
1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 84743375
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745726
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84745697
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-methylpiperazin-1-yl)acetic acid
CID 84745452
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84744768
2-(4-cyclopentylpiperazin-1-yl)-2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethanamine
CID 84745611
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744534
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(diethylamino)acetic acid
CID 84744703

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 84745436) is 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2c(Cl)nc(-c3ccccc3)n2C)CC1.
What is the InChIKey of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is VBQSTYMFDKODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5/c1-3-23-9-11-24(12-10-23)15(13-20)16-17(19)21-18(22(16)2)14-7-5-4-6-8-14/h4-8,15H,3,9-13,20H2,1-2H3.
What are the key properties of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 347.89 g/mol, XLogP of 2.38, 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-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84745436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).