N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C21H18ClFN6O2 — CID 53489940

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1
InChIInChI=1S/C21H18ClFN6O2/c1-2-3-18-27-21(31-28-18)13-6-7-24-19(8-13)29-11-17(26-12-29)20(30)25-10-14-4-5-15(23)9-16(14)22/h4-9,11-12H,2-3,10H2,1H3,(H,25,30)
InChIKeyUMAKPHJSGCZXIS-UHFFFAOYSA-N
MW440.87 g/mol
LogP3.99
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53489940) has the molecular formula C21H18ClFN6O2 and a molecular weight of 440.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53489940
Molecular FormulaC21H18ClFN6O2
Molecular Weight440.87 g/mol
Exact Mass440.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1
InChIInChI=1S/C21H18ClFN6O2/c1-2-3-18-27-21(31-28-18)13-6-7-24-19(8-13)29-11-17(26-12-29)20(30)25-10-14-4-5-15(23)9-16(14)22/h4-9,11-12H,2-3,10H2,1H3,(H,25,30)
InChIKeyUMAKPHJSGCZXIS-UHFFFAOYSA-N
XLogP3.99
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53489940) is N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is UMAKPHJSGCZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O2/c1-2-3-18-27-21(31-28-18)13-6-7-24-19(8-13)29-11-17(26-12-29)20(30)25-10-14-4-5-15(23)9-16(14)22/h4-9,11-12H,2-3,10H2,1H3,(H,25,30).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 440.87 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).