N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide

C22H24N4O — CID 51221849

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCCn1cnc2ccccc21
InChIInChI=1S/C22H24N4O/c27-22(12-5-7-17-15-24-19-9-2-1-8-18(17)19)23-13-6-14-26-16-25-20-10-3-4-11-21(20)26/h1-4,8-11,15-16,24H,5-7,12-14H2,(H,23,27)
InChIKeyOHZQXFVWYWKAAI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.05
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide

N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 51221849) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
PubChem CID51221849
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCCn1cnc2ccccc21
InChIInChI=1S/C22H24N4O/c27-22(12-5-7-17-15-24-19-9-2-1-8-18(17)19)23-13-6-14-26-16-25-20-10-3-4-11-21(20)26/h1-4,8-11,15-16,24H,5-7,12-14H2,(H,23,27)
InChIKeyOHZQXFVWYWKAAI-UHFFFAOYSA-N
XLogP4.05
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.05
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

1-[3-(benzimidazol-1-yl)propyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996918
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 19330007
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-(1H-indol-3-yl)butanamide
CID 19325911
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide (CID 51221849) is N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is OHZQXFVWYWKAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(12-5-7-17-15-24-19-9-2-1-8-18(17)19)23-13-6-14-26-16-25-20-10-3-4-11-21(20)26/h1-4,8-11,15-16,24H,5-7,12-14H2,(H,23,27).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide?
N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 360.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 51221849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).