3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide

C20H20N4O2 — CID 4144744

IUPAC3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c25-19(22-10-5-12-24-13-11-21-15-24)17-8-4-9-18(14-17)23-20(26)16-6-2-1-3-7-16/h1-4,6-9,11,13-15H,5,10,12H2,(H,22,25)(H,23,26)
InChIKeyHXLSYEHJDHLNSP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.96
Rot. Bonds7

About 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide

3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 4144744) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID4144744
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c25-19(22-10-5-12-24-13-11-21-15-24)17-8-4-9-18(14-17)23-20(26)16-6-2-1-3-7-16/h1-4,6-9,11,13-15H,5,10,12H2,(H,22,25)(H,23,26)
InChIKeyHXLSYEHJDHLNSP-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
CID 100664991
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide (CID 4144744) is 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is HXLSYEHJDHLNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(22-10-5-12-24-13-11-21-15-24)17-8-4-9-18(14-17)23-20(26)16-6-2-1-3-7-16/h1-4,6-9,11,13-15H,5,10,12H2,(H,22,25)(H,23,26).
What are the key properties of 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide?
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 4144744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).