2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine

C10H18ClN5 — CID 84741551

IUPAC2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2[nH]cnc2Cl)CC1
InChIInChI=1S/C10H18ClN5/c1-15-2-4-16(5-3-15)8(6-12)9-10(11)14-7-13-9/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyQXDJCGLNBDDHLR-UHFFFAOYSA-N
MW243.74 g/mol
LogP0.31
Rot. Bonds3

About 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 84741551) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID84741551
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2[nH]cnc2Cl)CC1
InChIInChI=1S/C10H18ClN5/c1-15-2-4-16(5-3-15)8(6-12)9-10(11)14-7-13-9/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyQXDJCGLNBDDHLR-UHFFFAOYSA-N
XLogP0.31
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1H-imidazol-5-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84744538
2-(4-bromo-1H-imidazol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84744146
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744145
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-(4-bromo-2-phenyl-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 84745591
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 83088573
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 79578678
2-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 65021681
2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43131514
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 84741551) is 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2[nH]cnc2Cl)CC1.
What is the InChIKey of 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is QXDJCGLNBDDHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-15-2-4-16(5-3-15)8(6-12)9-10(11)14-7-13-9/h7-8H,2-6,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 243.74 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-imidazol-5-yl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84741551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).