3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine

C17H24ClN5 — CID 119126175

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESClc1cccc(N2CCN(CCCNCc3ncc[nH]3)CC2)c1
InChIInChI=1S/C17H24ClN5/c18-15-3-1-4-16(13-15)23-11-9-22(10-12-23)8-2-5-19-14-17-20-6-7-21-17/h1,3-4,6-7,13,19H,2,5,8-12,14H2,(H,20,21)
InChIKeyRHQGRNGDVXSIAR-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.37
Rot. Bonds7

About 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine (PubChem CID 119126175) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
PubChem CID119126175
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
SMILESClc1cccc(N2CCN(CCCNCc3ncc[nH]3)CC2)c1
InChIInChI=1S/C17H24ClN5/c18-15-3-1-4-16(13-15)23-11-9-22(10-12-23)8-2-5-19-14-17-20-6-7-21-17/h1,3-4,6-7,13,19H,2,5,8-12,14H2,(H,20,21)
InChIKeyRHQGRNGDVXSIAR-UHFFFAOYSA-N
XLogP2.37
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 119125309
4-(4-benzylpiperazin-1-yl)-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 119111483
(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
CID 96564403
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 142679836
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629
N-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine (CID 119126175) is 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine is Clc1cccc(N2CCN(CCCNCc3ncc[nH]3)CC2)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
The InChIKey is RHQGRNGDVXSIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c18-15-3-1-4-16(13-15)23-11-9-22(10-12-23)8-2-5-19-14-17-20-6-7-21-17/h1,3-4,6-7,13,19H,2,5,8-12,14H2,(H,20,21).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine?
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine has a molecular weight of 333.87 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 119126175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).