5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine

C22H19Cl2N3O — CID 3604616

IUPAC5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c2ccccc12
InChIInChI=1S/C22H19Cl2N3O/c1-27-20(14-7-9-18(23)19(24)11-14)13-26-22(27)25-12-15-8-10-21(28-2)17-6-4-3-5-16(15)17/h3-11,13H,12H2,1-2H3,(H,25,26)
InChIKeyAMNLMDGFYLXLGS-UHFFFAOYSA-N
MW412.32 g/mol
LogP6.17
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine

5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine (PubChem CID 3604616) has the molecular formula C22H19Cl2N3O and a molecular weight of 412.32 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine
PubChem CID3604616
Molecular FormulaC22H19Cl2N3O
Molecular Weight412.32 g/mol
Exact Mass411.09
IUPAC Name5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c2ccccc12
InChIInChI=1S/C22H19Cl2N3O/c1-27-20(14-7-9-18(23)19(24)11-14)13-26-22(27)25-12-15-8-10-21(28-2)17-6-4-3-5-16(15)17/h3-11,13H,12H2,1-2H3,(H,25,26)
InChIKeyAMNLMDGFYLXLGS-UHFFFAOYSA-N
XLogP6.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 3356531
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 3893027
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]imidazol-2-amine
CID 3884020
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 5140918
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3566909
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3657177
2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3635678
2-[[[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163326889

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine (CID 3604616) is 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine is COc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c2ccccc12.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine?
The InChIKey is AMNLMDGFYLXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O/c1-27-20(14-7-9-18(23)19(24)11-14)13-26-22(27)25-12-15-8-10-21(28-2)17-6-4-3-5-16(15)17/h3-11,13H,12H2,1-2H3,(H,25,26).
What are the key properties of 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine?
5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine has a molecular weight of 412.32 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 3604616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).