4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine

C16H23ClN4 — CID 10494914

IUPAC4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine
SMILESCCN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1
InChIInChI=1S/C16H23ClN4/c1-2-21-10-9-20(11-13-5-3-4-6-14(13)17)12-15(21)16-18-7-8-19-16/h3-6,15H,2,7-12H2,1H3,(H,18,19)
InChIKeyBFXJWYJNXIBEGJ-UHFFFAOYSA-N
MW306.84 g/mol
LogP1.85
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine

4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine (PubChem CID 10494914) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine
PubChem CID10494914
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine
SMILESCCN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1
InChIInChI=1S/C16H23ClN4/c1-2-21-10-9-20(11-13-5-3-4-6-14(13)17)12-15(21)16-18-7-8-19-16/h3-6,15H,2,7-12H2,1H3,(H,18,19)
InChIKeyBFXJWYJNXIBEGJ-UHFFFAOYSA-N
XLogP1.85
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 12834599
CID 12834599
(4R,5S)-2-[2-(2-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388794
(4R,5S)-2-[2-(3-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388802
(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 73346595
5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 73346596
8-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 73348090
(4R,5S)-2-[2-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388827
1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 9797434
2-(2-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44269138
2-(2-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 3753467
(4R,5S)-2-[(3-chlorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11256503

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine (CID 10494914) is 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine is CCN1CCN(Cc2ccccc2Cl)CC1C1=NCCN1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine?
The InChIKey is BFXJWYJNXIBEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-2-21-10-9-20(11-13-5-3-4-6-14(13)17)12-15(21)16-18-7-8-19-16/h3-6,15H,2,7-12H2,1H3,(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine?
4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine has a molecular weight of 306.84 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethylpiperazine is sourced from PubChem (CID 10494914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).