N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine

C13H15Cl2N3 — CID 114079740

IUPACN-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C13H15Cl2N3/c1-2-6-16-8-12-17-7-11(18-12)9-4-3-5-10(14)13(9)15/h3-5,7,16H,2,6,8H2,1H3,(H,17,18)
InChIKeyWUFXEQZHAXARAB-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.88
Rot. Bonds5

About N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine

N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine (PubChem CID 114079740) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine
PubChem CID114079740
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2cccc(Cl)c2Cl)[nH]1
InChIInChI=1S/C13H15Cl2N3/c1-2-6-16-8-12-17-7-11(18-12)9-4-3-5-10(14)13(9)15/h3-5,7,16H,2,6,8H2,1H3,(H,17,18)
InChIKeyWUFXEQZHAXARAB-UHFFFAOYSA-N
XLogP3.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenyl)methyl]-5-(2,3-dichlorophenyl)-1H-imidazole
CID 141255841
5-(2,3-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-1H-imidazole
CID 141255824
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257
N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 54925179
N-[[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280692
N-[[5-[4-(5-bromothiophen-2-yl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415020
N-[[5-[2-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 123743795
N-[[5-[4-[4-[2-[(1S)-1-aminoethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 143848512
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
3-amino-6-(2,3-dichlorophenyl)-1H-pyrazin-2-one
CID 178183737

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine (CID 114079740) is N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2cccc(Cl)c2Cl)[nH]1.
What is the InChIKey of N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is WUFXEQZHAXARAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-2-6-16-8-12-17-7-11(18-12)9-4-3-5-10(14)13(9)15/h3-5,7,16H,2,6,8H2,1H3,(H,17,18).
What are the key properties of N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine?
N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114079740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).