1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine

C12H13Cl2N3 — CID 106557266

IUPAC1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-2-3-15-12-16-4-5-17(12)11-7-9(13)6-10(14)8-11/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeySIXSIOWNEPHRBJ-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.00
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine

1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine (PubChem CID 106557266) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
PubChem CID106557266
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2N3/c1-2-3-15-12-16-4-5-17(12)11-7-9(13)6-10(14)8-11/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeySIXSIOWNEPHRBJ-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106557243
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
1-(1-methylpyrazol-3-yl)-N-propylimidazol-2-amine
CID 106562961
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-propylimidazol-2-amine
CID 107336932
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
CID 106581408
1-(3,3-dimethylbutyl)-N-propylimidazol-2-amine
CID 106581758

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine (CID 106557266) is 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine is CCCNc1nccn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine?
The InChIKey is SIXSIOWNEPHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-3-15-12-16-4-5-17(12)11-7-9(13)6-10(14)8-11/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine?
1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine has a molecular weight of 270.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106557266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).