N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide

C16H13Cl2N3O2 — CID 67172553

IUPACN-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cnc[nH]1
InChIInChI=1S/C16H13Cl2N3O2/c17-12-3-1-10(7-13(12)18)15-4-2-11(23-15)5-6-20-16(22)14-8-19-9-21-14/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22)
InChIKeyPNORMOBCXGSGPR-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.95
Rot. Bonds5

About N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide

N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide (PubChem CID 67172553) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide
PubChem CID67172553
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cnc[nH]1
InChIInChI=1S/C16H13Cl2N3O2/c17-12-3-1-10(7-13(12)18)15-4-2-11(23-15)5-6-20-16(22)14-8-19-9-21-14/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22)
InChIKeyPNORMOBCXGSGPR-UHFFFAOYSA-N
XLogP3.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide (CID 67172553) is N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide is O=C(NCCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cnc[nH]1.
What is the InChIKey of N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is PNORMOBCXGSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c17-12-3-1-10(7-13(12)18)15-4-2-11(23-15)5-6-20-16(22)14-8-19-9-21-14/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide?
N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67172553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).