3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine

C16H20ClN3 — CID 43635100

IUPAC3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine
SMILESClc1ccc(C2CC(NCCCn3ccnc3)C2)cc1
InChIInChI=1S/C16H20ClN3/c17-15-4-2-13(3-5-15)14-10-16(11-14)19-6-1-8-20-9-7-18-12-20/h2-5,7,9,12,14,16,19H,1,6,8,10-11H2
InChIKeyTWGRKPXMPHCLNP-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.46
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine

3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine (PubChem CID 43635100) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine
PubChem CID43635100
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine
SMILESClc1ccc(C2CC(NCCCn3ccnc3)C2)cc1
InChIInChI=1S/C16H20ClN3/c17-15-4-2-13(3-5-15)14-10-16(11-14)19-6-1-8-20-9-7-18-12-20/h2-5,7,9,12,14,16,19H,1,6,8,10-11H2
InChIKeyTWGRKPXMPHCLNP-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)pyrrolidine-2,5-dione
CID 98678423
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
CID 19429364
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
CID 43634769
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine (CID 43635100) is 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine is Clc1ccc(C2CC(NCCCn3ccnc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine?
The InChIKey is TWGRKPXMPHCLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-15-4-2-13(3-5-15)14-10-16(11-14)19-6-1-8-20-9-7-18-12-20/h2-5,7,9,12,14,16,19H,1,6,8,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine?
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 43635100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).