5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine

C13H15ClFN3 — CID 79509873

IUPAC5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)cc2Cl)CN=C(N)N1C1CC1
InChIInChI=1S/C13H15ClFN3/c1-13(10-5-2-8(15)6-11(10)14)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17)
InChIKeyIHMIMQICMHQVKH-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.49
Rot. Bonds2

About 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine

5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79509873) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
PubChem CID79509873
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)cc2Cl)CN=C(N)N1C1CC1
InChIInChI=1S/C13H15ClFN3/c1-13(10-5-2-8(15)6-11(10)14)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17)
InChIKeyIHMIMQICMHQVKH-UHFFFAOYSA-N
XLogP2.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 82973719
1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79509754
1-cyclopropyl-5-(3,4-dimethylphenyl)-5-methyl-4H-imidazol-2-amine
CID 79509537
5-(2-chlorophenyl)-1-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501903
1-cyclopropyl-5-(3,4-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79510201
1-cyclopropyl-5-ethyl-5-(3-fluorophenyl)-4H-imidazol-2-amine
CID 114873226
5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79496902
5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79510819
5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 82776453
5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
CID 79520713
1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502372
1-cyclopropyl-5,5-diethyl-4H-imidazol-2-amine
CID 79509325

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine (CID 79509873) is 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine is CC1(c2ccc(F)cc2Cl)CN=C(N)N1C1CC1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is IHMIMQICMHQVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-13(10-5-2-8(15)6-11(10)14)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 267.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).