[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C20H23Cl2N5O — CID 120730841

IUPAC[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(Cn2ccnc2)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H21N5O.2ClH/c26-20(17-5-3-16(4-6-17)14-24-10-8-23-15-24)25-11-9-22-13-19(25)18-2-1-7-21-12-18;;/h1-8,10,12,15,19,22H,9,11,13-14H2;2*1H
InChIKeyQVBFXWXVIGLOIG-UHFFFAOYSA-N
MW420.34 g/mol
LogP2.96
Rot. Bonds4

About [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120730841) has the molecular formula C20H23Cl2N5O and a molecular weight of 420.34 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120730841
Molecular FormulaC20H23Cl2N5O
Molecular Weight420.34 g/mol
Exact Mass419.13
IUPAC Name[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(Cn2ccnc2)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H21N5O.2ClH/c26-20(17-5-3-16(4-6-17)14-24-10-8-23-15-24)25-11-9-22-13-19(25)18-2-1-7-21-12-18;;/h1-8,10,12,15,19,22H,9,11,13-14H2;2*1H
InChIKeyQVBFXWXVIGLOIG-UHFFFAOYSA-N
XLogP2.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(2-pyridin-3-ylpiperazin-1-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 120731821
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 120729451
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(2-pyridin-3-ylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone;dihydrochloride
CID 120731783
[4-[methyl(2-methylpropyl)amino]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731304
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
CID 120731351
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145

Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120730841) is [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1ccc(Cn2ccnc2)cc1)N1CCNCC1c1cccnc1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is QVBFXWXVIGLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.2ClH/c26-20(17-5-3-16(4-6-17)14-24-10-8-23-15-24)25-11-9-22-13-19(25)18-2-1-7-21-12-18;;/h1-8,10,12,15,19,22H,9,11,13-14H2;2*1H.
What are the key properties of [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 420.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120730841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).