5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine

C18H17Cl2N3 — CID 3893027

IUPAC5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1
InChIInChI=1S/C18H17Cl2N3/c1-12-3-5-13(6-4-12)10-21-18-22-11-17(23(18)2)14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyJKNCNQQSOCYOQN-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.31
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine

5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine (PubChem CID 3893027) has the molecular formula C18H17Cl2N3 and a molecular weight of 346.26 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
PubChem CID3893027
Molecular FormulaC18H17Cl2N3
Molecular Weight346.26 g/mol
Exact Mass345.08
IUPAC Name5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
SMILESCc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1
InChIInChI=1S/C18H17Cl2N3/c1-12-3-5-13(6-4-12)10-21-18-22-11-17(23(18)2)14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyJKNCNQQSOCYOQN-UHFFFAOYSA-N
XLogP5.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 5140918
N-[(3-bromophenyl)methyl]-5-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 5144981
4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
CID 51362157
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489
1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 3928516
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 646935
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 3999347
2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3635678
5-(3,4-dichlorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylimidazol-2-amine
CID 3604616
5-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 163326874

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine (CID 3893027) is 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine is Cc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is JKNCNQQSOCYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3/c1-12-3-5-13(6-4-12)10-21-18-22-11-17(23(18)2)14-7-8-15(19)16(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine?
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 346.26 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 3893027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).