N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine

C13H15BrClN3 — CID 82779512

IUPACN-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C13H15BrClN3/c1-8(2)16-7-13-17-6-12(18-13)10-4-3-9(14)5-11(10)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyRMTHVNMHZQMKQI-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.99
Rot. Bonds4

About N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine

N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine (PubChem CID 82779512) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
PubChem CID82779512
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC NameN-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc(Br)cc2Cl)[nH]1
InChIInChI=1S/C13H15BrClN3/c1-8(2)16-7-13-17-6-12(18-13)10-4-3-9(14)5-11(10)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyRMTHVNMHZQMKQI-UHFFFAOYSA-N
XLogP3.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 82970925
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60843269
N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287897
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377
N-[[6-(5-bromo-2-methylphenoxy)-5-chloro-3-pyridinyl]methyl]propan-2-amine
CID 107285773
N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 116877363
5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651166
1-[3-(4-bromo-2-chlorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 82779069
5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-1H-imidazole
CID 141255849
N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 82237976

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine (CID 82779512) is N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(-c2ccc(Br)cc2Cl)[nH]1.
What is the InChIKey of N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is RMTHVNMHZQMKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8(2)16-7-13-17-6-12(18-13)10-4-3-9(14)5-11(10)15/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine?
N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 328.64 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-chlorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 82779512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).