4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide

C12H14ClN3O2 — CID 82109211

IUPAC4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCCn2ccnc2)cc1CCl
InChIInChI=1S/C12H14ClN3O2/c1-9-10(7-13)6-11(18-9)12(17)15-3-5-16-4-2-14-8-16/h2,4,6,8H,3,5,7H2,1H3,(H,15,17)
InChIKeyFGSCNBGCTNIYAX-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.95
Rot. Bonds5

About 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide

4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide (PubChem CID 82109211) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide
PubChem CID82109211
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCCn2ccnc2)cc1CCl
InChIInChI=1S/C12H14ClN3O2/c1-9-10(7-13)6-11(18-9)12(17)15-3-5-16-4-2-14-8-16/h2,4,6,8H,3,5,7H2,1H3,(H,15,17)
InChIKeyFGSCNBGCTNIYAX-UHFFFAOYSA-N
XLogP1.95
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.95
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-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
CID 82109593
N-(3-imidazol-1-ylpropyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906929
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
CID 102705336
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide (CID 82109211) is 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide is Cc1oc(C(=O)NCCn2ccnc2)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide?
The InChIKey is FGSCNBGCTNIYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-9-10(7-13)6-11(18-9)12(17)15-3-5-16-4-2-14-8-16/h2,4,6,8H,3,5,7H2,1H3,(H,15,17).
What are the key properties of 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide?
4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-imidazol-1-ylethyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 82109211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).