4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine

C17H17FN4O — CID 142578077

IUPAC4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
SMILESCCOc1ccc(-c2nc(N)[nH]c2-c2ccnc(C)c2)cc1F
InChIInChI=1S/C17H17FN4O/c1-3-23-14-5-4-11(9-13(14)18)15-16(22-17(19)21-15)12-6-7-20-10(2)8-12/h4-9H,3H2,1-2H3,(H3,19,21,22)
InChIKeyKVPIRKRVUVAKMU-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.57
Rot. Bonds4

About 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine

4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine (PubChem CID 142578077) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
PubChem CID142578077
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
SMILESCCOc1ccc(-c2nc(N)[nH]c2-c2ccnc(C)c2)cc1F
InChIInChI=1S/C17H17FN4O/c1-3-23-14-5-4-11(9-13(14)18)15-16(22-17(19)21-15)12-6-7-20-10(2)8-12/h4-9H,3H2,1-2H3,(H3,19,21,22)
InChIKeyKVPIRKRVUVAKMU-UHFFFAOYSA-N
XLogP3.57
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
4-(4-ethoxy-3-fluorophenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831911
3-ethoxy-4-(2-methyl-4-pyridinyl)aniline
CID 172651460
5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
CID 142578026
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carboxylate
CID 142578070
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 116894641
4-amino-2-(4-ethoxy-3-fluorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82303643
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82477054
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine (CID 142578077) is 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine is CCOc1ccc(-c2nc(N)[nH]c2-c2ccnc(C)c2)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
The InChIKey is KVPIRKRVUVAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-3-23-14-5-4-11(9-13(14)18)15-16(22-17(19)21-15)12-6-7-20-10(2)8-12/h4-9H,3H2,1-2H3,(H3,19,21,22).
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine?
4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine has a molecular weight of 312.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)-5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine is sourced from PubChem (CID 142578077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).