3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine

C14H15F2N3 — CID 115525205

IUPAC3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine
SMILESCc1nc(-c2ccc(C(F)F)cc2)c(N)n1C1CC1
InChIInChI=1S/C14H15F2N3/c1-8-18-12(14(17)19(8)11-6-7-11)9-2-4-10(5-3-9)13(15)16/h2-5,11,13H,6-7,17H2,1H3
InChIKeyNYICXHOCEKGQQY-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.71
Rot. Bonds3

About 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine

3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine (PubChem CID 115525205) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine
PubChem CID115525205
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine
SMILESCc1nc(-c2ccc(C(F)F)cc2)c(N)n1C1CC1
InChIInChI=1S/C14H15F2N3/c1-8-18-12(14(17)19(8)11-6-7-11)9-2-4-10(5-3-9)13(15)16/h2-5,11,13H,6-7,17H2,1H3
InChIKeyNYICXHOCEKGQQY-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
CID 113328558
3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
CID 53275781
3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-propylimidazol-4-amine
CID 115525224
3-cyclopropyl-5-[4-(dimethylamino)phenyl]-2-methylimidazol-4-amine
CID 55047872
3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine
CID 62224312
3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
CID 62224310
3-cyclopropyl-2-ethyl-5-(4-methylphenyl)imidazol-4-amine
CID 55048823
3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
CID 62225965
5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
CID 65336593
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
CID 114064546
3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine
CID 79971887

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine (CID 115525205) is 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine is Cc1nc(-c2ccc(C(F)F)cc2)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine?
The InChIKey is NYICXHOCEKGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8-18-12(14(17)19(8)11-6-7-11)9-2-4-10(5-3-9)13(15)16/h2-5,11,13H,6-7,17H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine?
3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine is sourced from PubChem (CID 115525205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).