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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Related Compounds

4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
CID 62481357
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
CID 114488623
5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62018105
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
CID 84604378
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 83231149
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501533
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
4-(2,6-difluorophenyl)imidazole-1,5-diamine
CID 62481561
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110

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).