1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine

C21H25N5 — CID 166223958

IUPAC1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
SMILESCC(c1cccnc1)N1CCN(Cc2nccn2-c2ccccc2)CC1
InChIInChI=1S/C21H25N5/c1-18(19-6-5-9-22-16-19)25-14-12-24(13-15-25)17-21-23-10-11-26(21)20-7-3-2-4-8-20/h2-11,16,18H,12-15,17H2,1H3
InChIKeyBMUAYMHCKVRPRU-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.15
Rot. Bonds5

About 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine

1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine (PubChem CID 166223958) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
PubChem CID166223958
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
SMILESCC(c1cccnc1)N1CCN(Cc2nccn2-c2ccccc2)CC1
InChIInChI=1S/C21H25N5/c1-18(19-6-5-9-22-16-19)25-14-12-24(13-15-25)17-21-23-10-11-26(21)20-7-3-2-4-8-20/h2-11,16,18H,12-15,17H2,1H3
InChIKeyBMUAYMHCKVRPRU-UHFFFAOYSA-N
XLogP3.15
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine 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

1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 99788947
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 56789971
1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 95626118
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
CID 98757746
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976764
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 75509202
N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 110452626
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine?
The IUPAC name of 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine (CID 166223958) is 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine is CC(c1cccnc1)N1CCN(Cc2nccn2-c2ccccc2)CC1.
What is the InChIKey of 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine?
The InChIKey is BMUAYMHCKVRPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-18(19-6-5-9-22-16-19)25-14-12-24(13-15-25)17-21-23-10-11-26(21)20-7-3-2-4-8-20/h2-11,16,18H,12-15,17H2,1H3.
What are the key properties of 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine?
1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine has a molecular weight of 347.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 166223958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).