N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C21H19ClN6O2 — CID 53490015

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)c2)n1
InChIInChI=1S/C21H19ClN6O2/c1-2-18-26-21(30-27-18)15-8-10-23-19(11-15)28-12-17(25-13-28)20(29)24-9-7-14-3-5-16(22)6-4-14/h3-6,8,10-13H,2,7,9H2,1H3,(H,24,29)
InChIKeyILRXCOYEOYZCNL-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53490015) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53490015
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)c2)n1
InChIInChI=1S/C21H19ClN6O2/c1-2-18-26-21(30-27-18)15-8-10-23-19(11-15)28-12-17(25-13-28)20(29)24-9-7-14-3-5-16(22)6-4-14/h3-6,8,10-13H,2,7,9H2,1H3,(H,24,29)
InChIKeyILRXCOYEOYZCNL-UHFFFAOYSA-N
XLogP3.51
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53490015) is N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)c2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is ILRXCOYEOYZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-2-18-26-21(30-27-18)15-8-10-23-19(11-15)28-12-17(25-13-28)20(29)24-9-7-14-3-5-16(22)6-4-14/h3-6,8,10-13H,2,7,9H2,1H3,(H,24,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 422.88 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53490015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).