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

C15H19Cl2N3 — CID 107307271

IUPACN-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-11(2)8-18-9-14-19-6-7-20(14)10-12-4-3-5-13(16)15(12)17/h3-7,11,18H,8-10H2,1-2H3
InChIKeyJUTVMSNBEPKJQD-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.98
Rot. Bonds6

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

N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107307271) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107307271
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-11(2)8-18-9-14-19-6-7-20(14)10-12-4-3-5-13(16)15(12)17/h3-7,11,18H,8-10H2,1-2H3
InChIKeyJUTVMSNBEPKJQD-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401918
N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403458
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]acetamide;ethane
CID 144709386
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818521
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402484
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807
2-chloro-N-[(2,3-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 107310114
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine (CID 107307271) is N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nccn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JUTVMSNBEPKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-11(2)8-18-9-14-19-6-7-20(14)10-12-4-3-5-13(16)15(12)17/h3-7,11,18H,8-10H2,1-2H3.
What are the key properties of N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 312.24 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107307271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).