N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide

C17H19N3O2 — CID 29303584

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2/c21-17(10-9-13-5-4-12-22-13)18-11-3-8-16-19-14-6-1-2-7-15(14)20-16/h1-2,4-7,12H,3,8-11H2,(H,18,21)(H,19,20)
InChIKeyJERYJZCRHKXZQX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.84
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide (PubChem CID 29303584) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
PubChem CID29303584
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3O2/c21-17(10-9-13-5-4-12-22-13)18-11-3-8-16-19-14-6-1-2-7-15(14)20-16/h1-2,4-7,12H,3,8-11H2,(H,18,21)(H,19,20)
InChIKeyJERYJZCRHKXZQX-UHFFFAOYSA-N
XLogP2.84
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide (CID 29303584) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide?
The InChIKey is JERYJZCRHKXZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(10-9-13-5-4-12-22-13)18-11-3-8-16-19-14-6-1-2-7-15(14)20-16/h1-2,4-7,12H,3,8-11H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 29303584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).