4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine

C19H18FN5O — CID 143255018

IUPAC4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
SMILES[H]/N=C/C=C(/OC)c1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(N)c2)[nH]1
InChIInChI=1S/C19H18FN5O/c1-11-9-12(3-4-14(11)20)17-18(13-6-8-23-16(22)10-13)25-19(24-17)15(26-2)5-7-21/h3-10,21H,1-2H3,(H2,22,23)(H,24,25)/b15-5+,21-7+
InChIKeyUCLRREYAEFFOPT-IPWLJVKKSA-N
MW351.39 g/mol
LogP3.81
Rot. Bonds5

About 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine

4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine (PubChem CID 143255018) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
PubChem CID143255018
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
SMILES[H]/N=C/C=C(/OC)c1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(N)c2)[nH]1
InChIInChI=1S/C19H18FN5O/c1-11-9-12(3-4-14(11)20)17-18(13-6-8-23-16(22)10-13)25-19(24-17)15(26-2)5-7-21/h3-10,21H,1-2H3,(H2,22,23)(H,24,25)/b15-5+,21-7+
InChIKeyUCLRREYAEFFOPT-IPWLJVKKSA-N
XLogP3.81
TPSA100.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine (CID 143255018) is 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine is [H]/N=C/C=C(/OC)c1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(N)c2)[nH]1.
What is the InChIKey of 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
The InChIKey is UCLRREYAEFFOPT-IPWLJVKKSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-11-9-12(3-4-14(11)20)17-18(13-6-8-23-16(22)10-13)25-19(24-17)15(26-2)5-7-21/h3-10,21H,1-2H3,(H2,22,23)(H,24,25)/b15-5+,21-7+.
What are the key properties of 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine?
4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine has a molecular weight of 351.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 143255018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).