4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine

C11H13ClN4 — CID 62483208

IUPAC4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1N
InChIInChI=1S/C11H13ClN4/c1-2-9-15-10(11(13)16(9)14)7-4-3-5-8(12)6-7/h3-6H,2,13-14H2,1H3
InChIKeyADPRXPMNKIBQMZ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.06
Rot. Bonds2

About 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine

4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine (PubChem CID 62483208) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine
PubChem CID62483208
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1N
InChIInChI=1S/C11H13ClN4/c1-2-9-15-10(11(13)16(9)14)7-4-3-5-8(12)6-7/h3-6H,2,13-14H2,1H3
InChIKeyADPRXPMNKIBQMZ-UHFFFAOYSA-N
XLogP2.06
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine?
The IUPAC name of 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine (CID 62483208) is 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine is CCc1nc(-c2cccc(Cl)c2)c(N)n1N.
What is the InChIKey of 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine?
The InChIKey is ADPRXPMNKIBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-9-15-10(11(13)16(9)14)7-4-3-5-8(12)6-7/h3-6H,2,13-14H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine?
4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine has a molecular weight of 236.71 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-ethylimidazole-1,5-diamine is sourced from PubChem (CID 62483208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).