[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride

C18H25Cl2N3O — CID 19371488

IUPAC[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride
SMILESCc1ccc(CCn2ccnc2C(=O)C2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-14-2-4-15(5-3-14)8-12-21-13-11-20-18(21)17(22)16-6-9-19-10-7-16;;/h2-5,11,13,16,19H,6-10,12H2,1H3;2*1H
InChIKeyDTWBAFQHZFDTHQ-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.46
Rot. Bonds5

About [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride

[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride (PubChem CID 19371488) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride
PubChem CID19371488
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride
SMILESCc1ccc(CCn2ccnc2C(=O)C2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-14-2-4-15(5-3-14)8-12-21-13-11-20-18(21)17(22)16-6-9-19-10-7-16;;/h2-5,11,13,16,19H,6-10,12H2,1H3;2*1H
InChIKeyDTWBAFQHZFDTHQ-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride?
The IUPAC name of [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride (CID 19371488) is [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride.
What is the SMILES notation for [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride?
The canonical SMILES for [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride is Cc1ccc(CCn2ccnc2C(=O)C2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride?
The InChIKey is DTWBAFQHZFDTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-14-2-4-15(5-3-14)8-12-21-13-11-20-18(21)17(22)16-6-9-19-10-7-16;;/h2-5,11,13,16,19H,6-10,12H2,1H3;2*1H.
What are the key properties of [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride?
[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride is sourced from PubChem (CID 19371488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).