4-(4-chlorophenyl)imidazole-1,2-diamine

C9H9ClN4 — CID 1478838

IUPAC4-(4-chlorophenyl)imidazole-1,2-diamine
SMILESNc1nc(-c2ccc(Cl)cc2)cn1N
InChIInChI=1S/C9H9ClN4/c10-7-3-1-6(2-4-7)8-5-14(12)9(11)13-8/h1-5H,12H2,(H2,11,13)
InChIKeyXWTCRCUFBKCSJP-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.50
Rot. Bonds1

About 4-(4-chlorophenyl)imidazole-1,2-diamine

4-(4-chlorophenyl)imidazole-1,2-diamine (PubChem CID 1478838) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)imidazole-1,2-diamine
PubChem CID1478838
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-(4-chlorophenyl)imidazole-1,2-diamine
SMILESNc1nc(-c2ccc(Cl)cc2)cn1N
InChIInChI=1S/C9H9ClN4/c10-7-3-1-6(2-4-7)8-5-14(12)9(11)13-8/h1-5H,12H2,(H2,11,13)
InChIKeyXWTCRCUFBKCSJP-UHFFFAOYSA-N
XLogP1.50
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(4-chlorophenyl)imidazole-1,2-diamine (CID 1478838) is 4-(4-chlorophenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(4-chlorophenyl)imidazole-1,2-diamine is Nc1nc(-c2ccc(Cl)cc2)cn1N.
What is the InChIKey of 4-(4-chlorophenyl)imidazole-1,2-diamine?
The InChIKey is XWTCRCUFBKCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-7-3-1-6(2-4-7)8-5-14(12)9(11)13-8/h1-5H,12H2,(H2,11,13).
What are the key properties of 4-(4-chlorophenyl)imidazole-1,2-diamine?
4-(4-chlorophenyl)imidazole-1,2-diamine has a molecular weight of 208.65 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)imidazole-1,2-diamine is sourced from PubChem (CID 1478838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).