N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide

C12H15N3O2 — CID 3766728

IUPACN-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H15N3O2/c1-10-11(3-8-17-10)12(16)14-4-2-6-15-7-5-13-9-15/h3,5,7-9H,2,4,6H2,1H3,(H,14,16)
InChIKeyGRYZGDQJKJUHQH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide

N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide (PubChem CID 3766728) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
PubChem CID3766728
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H15N3O2/c1-10-11(3-8-17-10)12(16)14-4-2-6-15-7-5-13-9-15/h3,5,7-9H,2,4,6H2,1H3,(H,14,16)
InChIKeyGRYZGDQJKJUHQH-UHFFFAOYSA-N
XLogP1.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide (CID 3766728) is N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide?
The InChIKey is GRYZGDQJKJUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-11(3-8-17-10)12(16)14-4-2-6-15-7-5-13-9-15/h3,5,7-9H,2,4,6H2,1H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 3766728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).