N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C14H18ClN3 — CID 107446934

IUPACN-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-8-16-10-18(11)13-7-5-4-6-12(13)15/h4-8,10,17H,9H2,1-3H3
InChIKeyQSTWXHKDEBFICA-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.41
Rot. Bonds3

About N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107446934) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107446934
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-8-16-10-18(11)13-7-5-4-6-12(13)15/h4-8,10,17H,9H2,1-3H3
InChIKeyQSTWXHKDEBFICA-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107608528
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447022
N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446960
2-methyl-N-[[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447025
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107446913
N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071720
1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
CID 142004083

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107446934) is N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1-c1ccccc1Cl.
What is the InChIKey of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QSTWXHKDEBFICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2,3)17-9-11-8-16-10-18(11)13-7-5-4-6-12(13)15/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).