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

C14H17Cl2N3 — CID 107918177

IUPACN-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C14H17Cl2N3/c1-14(2,3)18-8-12-7-17-13(19-12)9-4-10(15)6-11(16)5-9/h4-7,18H,8H2,1-3H3,(H,17,19)
InChIKeyVEFWMVNCYCFWNT-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.27
Rot. Bonds3

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

N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107918177) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID107918177
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC NameN-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C14H17Cl2N3/c1-14(2,3)18-8-12-7-17-13(19-12)9-4-10(15)6-11(16)5-9/h4-7,18H,8H2,1-3H3,(H,17,19)
InChIKeyVEFWMVNCYCFWNT-UHFFFAOYSA-N
XLogP4.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[2-(3,5-dichlorophenyl)-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

Related Compounds

N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82802315
2-methyl-N-[[2-(3-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109153
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113398748
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
1-[2-(2,6-dimethyl-4-pyridinyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 107504565
2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109029
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
2-(4-chlorophenyl)-5-ethyl-1H-imidazole
CID 90782156
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
CID 131880085
N-[[2-[2-(diethylamino)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63109005

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 107918177) is N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(-c2cc(Cl)cc(Cl)c2)[nH]1.
What is the InChIKey of N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VEFWMVNCYCFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-14(2,3)18-8-12-7-17-13(19-12)9-4-10(15)6-11(16)5-9/h4-7,18H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107918177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).