[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride

C24H29ClN4O2 — CID 45284270

IUPAC[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-18(2)30-22-10-6-20(7-11-22)23(29)26-14-16-27(17-15-26)24-25-12-13-28(24)21-8-4-19(3)5-9-21;/h4-13,18H,14-17H2,1-3H3;1H
InChIKeyRXICHGGNIGCVGP-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.35
Rot. Bonds5

About [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride

[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride (PubChem CID 45284270) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
PubChem CID45284270
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-18(2)30-22-10-6-20(7-11-22)23(29)26-14-16-27(17-15-26)24-25-12-13-28(24)21-8-4-19(3)5-9-21;/h4-13,18H,14-17H2,1-3H3;1H
InChIKeyRXICHGGNIGCVGP-UHFFFAOYSA-N
XLogP4.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
CID 45284274
2-ethoxy-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
CID 25284986
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 166364630
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 42111059
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060380
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride (CID 45284270) is [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride is Cc1ccc(-n2ccnc2N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)cc1.Cl.
What is the InChIKey of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
The InChIKey is RXICHGGNIGCVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.ClH/c1-18(2)30-22-10-6-20(7-11-22)23(29)26-14-16-27(17-15-26)24-25-12-13-28(24)21-8-4-19(3)5-9-21;/h4-13,18H,14-17H2,1-3H3;1H.
What are the key properties of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride has a molecular weight of 440.98 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 45284270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).