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

C15H20ClN3 — CID 55176708

IUPACN-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)18-10-13-9-17-14(19-13)8-11-4-6-12(16)7-5-11/h4-7,9,18H,8,10H2,1-3H3,(H,17,19)
InChIKeyHKCUQYHFDJGTIK-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.54
Rot. Bonds4

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

N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55176708) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID55176708
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)18-10-13-9-17-14(19-13)8-11-4-6-12(16)7-5-11/h4-7,9,18H,8,10H2,1-3H3,(H,17,19)
InChIKeyHKCUQYHFDJGTIK-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 55176708) is N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(Cc2ccc(Cl)cc2)[nH]1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HKCUQYHFDJGTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-15(2,3)18-10-13-9-17-14(19-13)8-11-4-6-12(16)7-5-11/h4-7,9,18H,8,10H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55176708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).