N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide

C19H20N4O2 — CID 154832236

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C12CCCN(CC1)C2
InChIInChI=1S/C19H20N4O2/c24-18(19-6-2-8-23(12-19)9-7-19)20-13-4-5-14-15(11-13)22-17(21-14)16-3-1-10-25-16/h1,3-5,10-11H,2,6-9,12H2,(H,20,24)(H,21,22)
InChIKeyDPQJQMXGITWUIO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.25
Rot. Bonds3

About N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 154832236) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID154832236
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C12CCCN(CC1)C2
InChIInChI=1S/C19H20N4O2/c24-18(19-6-2-8-23(12-19)9-7-19)20-13-4-5-14-15(11-13)22-17(21-14)16-3-1-10-25-16/h1,3-5,10-11H,2,6-9,12H2,(H,20,24)(H,21,22)
InChIKeyDPQJQMXGITWUIO-UHFFFAOYSA-N
XLogP3.25
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide with MolForge

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Related Compounds

methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119843774
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55945477

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 154832236) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)C12CCCN(CC1)C2.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is DPQJQMXGITWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(19-6-2-8-23(12-19)9-7-19)20-13-4-5-14-15(11-13)22-17(21-14)16-3-1-10-25-16/h1,3-5,10-11H,2,6-9,12H2,(H,20,24)(H,21,22).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 154832236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).