5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide

C11H12ClN3O2 — CID 82109593

IUPAC5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc(CCl)o1
InChIInChI=1S/C11H12ClN3O2/c12-7-9-1-2-10(17-9)11(16)14-4-6-15-5-3-13-8-15/h1-3,5,8H,4,6-7H2,(H,14,16)
InChIKeyHSVVZYJMQROUAX-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.64
Rot. Bonds5

About 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide

5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide (PubChem CID 82109593) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
PubChem CID82109593
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc(CCl)o1
InChIInChI=1S/C11H12ClN3O2/c12-7-9-1-2-10(17-9)11(16)14-4-6-15-5-3-13-8-15/h1-3,5,8H,4,6-7H2,(H,14,16)
InChIKeyHSVVZYJMQROUAX-UHFFFAOYSA-N
XLogP1.64
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide
CID 82109211
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
5-[(4-chloro-3-methylphenoxy)methyl]-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 35294139
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
5-hydrazinyl-N-(2-imidazol-1-ylethyl)pyrazine-2-carboxamide
CID 107378052
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide (CID 82109593) is 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide is O=C(NCCn1ccnc1)c1ccc(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
The InChIKey is HSVVZYJMQROUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-7-9-1-2-10(17-9)11(16)14-4-6-15-5-3-13-8-15/h1-3,5,8H,4,6-7H2,(H,14,16).
What are the key properties of 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide has a molecular weight of 253.69 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 82109593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).