N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline

C20H23N5 — CID 167800061

IUPACN-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
SMILESc1ccc(-n2ccnc2CNc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C20H23N5/c1-2-4-19(5-3-1)25-15-12-22-20(25)16-23-17-6-8-18(9-7-17)24-13-10-21-11-14-24/h1-9,12,15,21,23H,10-11,13-14,16H2
InChIKeyOLTBCXMTDLMRAD-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.89
Rot. Bonds5

About N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline

N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline (PubChem CID 167800061) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline.

Molecular Properties

Compound NameN-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
PubChem CID167800061
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline
SMILESc1ccc(-n2ccnc2CNc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C20H23N5/c1-2-4-19(5-3-1)25-15-12-22-20(25)16-23-17-6-8-18(9-7-17)24-13-10-21-11-14-24/h1-9,12,15,21,23H,10-11,13-14,16H2
InChIKeyOLTBCXMTDLMRAD-UHFFFAOYSA-N
XLogP2.89
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-[(1-phenylimidazol-2-yl)methyl]piperazine
CID 141118579
N-[(2-bromophenyl)methyl]-4-piperazin-1-ylaniline
CID 162657146
1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
CID 82513449
N-[(3-chlorophenyl)methyl]-4-piperazin-1-ylaniline
CID 162658647
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961
4-[(4-piperazin-1-ylanilino)methyl]phenol
CID 162654115
1-[(1-phenylimidazol-2-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 120841687
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
CID 112719833
2-[4-(4-phenylpiperazin-1-yl)anilino]ethanethiol
CID 112722027

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline?
The IUPAC name of N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline (CID 167800061) is N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline.
What is the SMILES notation for N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline?
The canonical SMILES for N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline is c1ccc(-n2ccnc2CNc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline?
The InChIKey is OLTBCXMTDLMRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-4-19(5-3-1)25-15-12-22-20(25)16-23-17-6-8-18(9-7-17)24-13-10-21-11-14-24/h1-9,12,15,21,23H,10-11,13-14,16H2.
What are the key properties of N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline?
N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline has a molecular weight of 333.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylimidazol-2-yl)methyl]-4-piperazin-1-ylaniline is sourced from PubChem (CID 167800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).