1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine

C12H11BrClN3 — CID 106576642

IUPAC1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(-n2ccnc2NC2CC2)cc1Br
InChIInChI=1S/C12H11BrClN3/c13-10-7-9(3-4-11(10)14)17-6-5-15-12(17)16-8-1-2-8/h3-8H,1-2H2,(H,15,16)
InChIKeyDYWGRYHTQVLHKQ-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine

1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine (PubChem CID 106576642) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
PubChem CID106576642
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
SMILESClc1ccc(-n2ccnc2NC2CC2)cc1Br
InChIInChI=1S/C12H11BrClN3/c13-10-7-9(3-4-11(10)14)17-6-5-15-12(17)16-8-1-2-8/h3-8H,1-2H2,(H,15,16)
InChIKeyDYWGRYHTQVLHKQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106581538
1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 107623823
1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine
CID 114261820
N-cyclopentyl-1-(3,5-dichlorophenyl)imidazol-2-amine
CID 106557230
N-cyclopentyl-1-(3,4-dimethylphenyl)imidazol-2-amine
CID 106560237
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937
N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
CID 106555769
N-cyclopentyl-1-(3-iodophenyl)imidazol-2-amine
CID 106554214
N-cyclopentyl-1-(3-methylphenyl)imidazol-2-amine
CID 106560185
N-cycloheptyl-1-phenylimidazol-2-amine
CID 106561276
1-(2-chlorophenyl)-N-cyclohexylimidazol-2-amine
CID 106558771

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine (CID 106576642) is 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine is Clc1ccc(-n2ccnc2NC2CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine?
The InChIKey is DYWGRYHTQVLHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c13-10-7-9(3-4-11(10)14)17-6-5-15-12(17)16-8-1-2-8/h3-8H,1-2H2,(H,15,16).
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine?
1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine has a molecular weight of 312.60 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106576642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).