N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine

C14H17Cl2N3 — CID 55048807

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-6-17-9-14-18-7-8-19(14)10-11-12(15)4-3-5-13(11)16/h3-5,7-8,17H,2,6,9-10H2,1H3
InChIKeyXQQVKPGYQNLPBV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.74
Rot. Bonds6

About N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine

N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 55048807) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID55048807
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-6-17-9-14-18-7-8-19(14)10-11-12(15)4-3-5-13(11)16/h3-5,7-8,17H,2,6,9-10H2,1H3
InChIKeyXQQVKPGYQNLPBV-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.74
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

N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62549303
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222165
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[1-[(2-chloro-6-nitrophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 63746341
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62222860

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 55048807) is N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is XQQVKPGYQNLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-6-17-9-14-18-7-8-19(14)10-11-12(15)4-3-5-13(11)16/h3-5,7-8,17H,2,6,9-10H2,1H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55048807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).