4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine

C21H22FN5 — CID 143255025

IUPAC4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
SMILES[H]/N=C/C(=C\c1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(N)c2)[nH]1)C(C)C
InChIInChI=1S/C21H22FN5/c1-12(2)16(11-23)10-19-26-20(14-4-5-17(22)13(3)8-14)21(27-19)15-6-7-25-18(24)9-15/h4-12,23H,1-3H3,(H2,24,25)(H,26,27)/b16-10+,23-11+
InChIKeyGYFUVWPHPWEVRE-QUCSAUPBSA-N
MW363.44 g/mol
LogP4.86
Rot. Bonds5

About 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine

4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine (PubChem CID 143255025) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
PubChem CID143255025
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC Name4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
SMILES[H]/N=C/C(=C\c1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(N)c2)[nH]1)C(C)C
InChIInChI=1S/C21H22FN5/c1-12(2)16(11-23)10-19-26-20(14-4-5-17(22)13(3)8-14)21(27-19)15-6-7-25-18(24)9-15/h4-12,23H,1-3H3,(H2,24,25)(H,26,27)/b16-10+,23-11+
InChIKeyGYFUVWPHPWEVRE-QUCSAUPBSA-N
XLogP4.86
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
CID 143255018
4-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-2-amine
CID 102970517
4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
CID 154699548
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
CID 122510804
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005
4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 59759521
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
4-N-[4-amino-3-(4-fluoro-3-methylphenyl)-5-methanimidoylphenyl]pyrimidine-2,4-diamine
CID 143557319
5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219778

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine (CID 143255025) is 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine is [H]/N=C/C(=C\c1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(N)c2)[nH]1)C(C)C.
What is the InChIKey of 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
The InChIKey is GYFUVWPHPWEVRE-QUCSAUPBSA-N. The full InChI is InChI=1S/C21H22FN5/c1-12(2)16(11-23)10-19-26-20(14-4-5-17(22)13(3)8-14)21(27-19)15-6-7-25-18(24)9-15/h4-12,23H,1-3H3,(H2,24,25)(H,26,27)/b16-10+,23-11+.
What are the key properties of 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 143255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).