N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C13H15Cl2N3 — CID 60788679

IUPACN-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESClc1cc(Cl)cc(CNCCCn2ccnc2)c1
InChIInChI=1S/C13H15Cl2N3/c14-12-6-11(7-13(15)8-12)9-16-2-1-4-18-5-3-17-10-18/h3,5-8,10,16H,1-2,4,9H2
InChIKeyLXSGYMXBVNCXKS-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.37
Rot. Bonds6

About N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 60788679) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID60788679
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESClc1cc(Cl)cc(CNCCCn2ccnc2)c1
InChIInChI=1S/C13H15Cl2N3/c14-12-6-11(7-13(15)8-12)9-16-2-1-4-18-5-3-17-10-18/h3,5-8,10,16H,1-2,4,9H2
InChIKeyLXSGYMXBVNCXKS-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.37
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

3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155316
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-[(5-bromo-3-pyridinyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 113454152
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17156644
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(4-bromo-3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 81003217

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 60788679) is N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine is Clc1cc(Cl)cc(CNCCCn2ccnc2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is LXSGYMXBVNCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-12-6-11(7-13(15)8-12)9-16-2-1-4-18-5-3-17-10-18/h3,5-8,10,16H,1-2,4,9H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 60788679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).