N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide

C14H19N3O2 — CID 56760466

IUPACN-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C(C)C)cc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C14H19N3O2/c1-9(2)12-7-11(10(3)19-12)14(18)17(4)8-13-15-5-6-16-13/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyPUMVEZWCHMAIGF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.71
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide (PubChem CID 56760466) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide
PubChem CID56760466
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C(C)C)cc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C14H19N3O2/c1-9(2)12-7-11(10(3)19-12)14(18)17(4)8-13-15-5-6-16-13/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyPUMVEZWCHMAIGF-UHFFFAOYSA-N
XLogP2.71
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide (CID 56760466) is N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide is Cc1oc(C(C)C)cc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide?
The InChIKey is PUMVEZWCHMAIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)12-7-11(10(3)19-12)14(18)17(4)8-13-15-5-6-16-13/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2-dimethyl-5-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 56760466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).