4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine

C10H10Cl2N4O — CID 95475434

IUPAC4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine
SMILESCOc1c(Cl)cc(Cl)cc1-c1cn(N)c(N)n1
InChIInChI=1S/C10H10Cl2N4O/c1-17-9-6(2-5(11)3-7(9)12)8-4-16(14)10(13)15-8/h2-4H,14H2,1H3,(H2,13,15)
InChIKeyJCQTXRITLKEUAS-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.16
Rot. Bonds2

About 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine

4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine (PubChem CID 95475434) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine
PubChem CID95475434
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine
SMILESCOc1c(Cl)cc(Cl)cc1-c1cn(N)c(N)n1
InChIInChI=1S/C10H10Cl2N4O/c1-17-9-6(2-5(11)3-7(9)12)8-4-16(14)10(13)15-8/h2-4H,14H2,1H3,(H2,13,15)
InChIKeyJCQTXRITLKEUAS-UHFFFAOYSA-N
XLogP2.16
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine (CID 95475434) is 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine is COc1c(Cl)cc(Cl)cc1-c1cn(N)c(N)n1.
What is the InChIKey of 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine?
The InChIKey is JCQTXRITLKEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c1-17-9-6(2-5(11)3-7(9)12)8-4-16(14)10(13)15-8/h2-4H,14H2,1H3,(H2,13,15).
What are the key properties of 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine?
4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine has a molecular weight of 273.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine is sourced from PubChem (CID 95475434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).