4-(3,4-dichlorophenyl)imidazole-1,5-diamine

C9H8Cl2N4 — CID 62482755

IUPAC4-(3,4-dichlorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2ccc(Cl)c(Cl)c2)ncn1N
InChIInChI=1S/C9H8Cl2N4/c10-6-2-1-5(3-7(6)11)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyMGOMHQCUDMCXGB-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.15
Rot. Bonds1

About 4-(3,4-dichlorophenyl)imidazole-1,5-diamine

4-(3,4-dichlorophenyl)imidazole-1,5-diamine (PubChem CID 62482755) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)imidazole-1,5-diamine
PubChem CID62482755
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4-(3,4-dichlorophenyl)imidazole-1,5-diamine
SMILESNc1c(-c2ccc(Cl)c(Cl)c2)ncn1N
InChIInChI=1S/C9H8Cl2N4/c10-6-2-1-5(3-7(6)11)8-9(12)15(13)4-14-8/h1-4H,12-13H2
InChIKeyMGOMHQCUDMCXGB-UHFFFAOYSA-N
XLogP2.15
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)imidazole-1,5-diamine?
The IUPAC name of 4-(3,4-dichlorophenyl)imidazole-1,5-diamine (CID 62482755) is 4-(3,4-dichlorophenyl)imidazole-1,5-diamine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)imidazole-1,5-diamine?
The canonical SMILES for 4-(3,4-dichlorophenyl)imidazole-1,5-diamine is Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1N.
What is the InChIKey of 4-(3,4-dichlorophenyl)imidazole-1,5-diamine?
The InChIKey is MGOMHQCUDMCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c10-6-2-1-5(3-7(6)11)8-9(12)15(13)4-14-8/h1-4H,12-13H2.
What are the key properties of 4-(3,4-dichlorophenyl)imidazole-1,5-diamine?
4-(3,4-dichlorophenyl)imidazole-1,5-diamine has a molecular weight of 243.10 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)imidazole-1,5-diamine is sourced from PubChem (CID 62482755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).