N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

C22H23N5O — CID 86975702

IUPACN-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C22H23N5O/c28-22(24-13-6-15-26-16-14-23-17-26)12-11-21-25-19-9-4-5-10-20(19)27(21)18-7-2-1-3-8-18/h1-5,7-10,14,16-17H,6,11-13,15H2,(H,24,28)
InChIKeyXAFBAMRFUFFIPK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.36
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 86975702) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID86975702
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C22H23N5O/c28-22(24-13-6-15-26-16-14-23-17-26)12-11-21-25-19-9-4-5-10-20(19)27(21)18-7-2-1-3-8-18/h1-5,7-10,14,16-17H,6,11-13,15H2,(H,24,28)
InChIKeyXAFBAMRFUFFIPK-UHFFFAOYSA-N
XLogP3.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 91951089
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 86975702) is N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is XAFBAMRFUFFIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(24-13-6-15-26-16-14-23-17-26)12-11-21-25-19-9-4-5-10-20(19)27(21)18-7-2-1-3-8-18/h1-5,7-10,14,16-17H,6,11-13,15H2,(H,24,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 373.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 86975702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).