N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide

C17H15N5O4 — CID 25405015

IUPACN-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc21
InChIInChI=1S/C17H15N5O4/c23-16(20-21-11-19-14-3-1-2-4-15(14)21)9-10-18-17(24)12-5-7-13(8-6-12)22(25)26/h1-8,11H,9-10H2,(H,18,24)(H,20,23)
InChIKeyNVRWLFCWGPBHHL-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.83
Rot. Bonds6

About N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide

N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide (PubChem CID 25405015) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide
PubChem CID25405015
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc21
InChIInChI=1S/C17H15N5O4/c23-16(20-21-11-19-14-3-1-2-4-15(14)21)9-10-18-17(24)12-5-7-13(8-6-12)22(25)26/h1-8,11H,9-10H2,(H,18,24)(H,20,23)
InChIKeyNVRWLFCWGPBHHL-UHFFFAOYSA-N
XLogP1.83
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzimidazol-1-ylmethyl)-4-nitrobenzamide
CID 71353265
N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 35984037
2-[3-[(4-nitrobenzoyl)amino]propanoylamino]acetic acid
CID 119171145
4-nitro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 9482968
N-[3-(2-ethylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2674902
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
4-nitro-N-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]benzamide
CID 9301414
4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 18159360
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide?
The IUPAC name of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide (CID 25405015) is N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide is O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide?
The InChIKey is NVRWLFCWGPBHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c23-16(20-21-11-19-14-3-1-2-4-15(14)21)9-10-18-17(24)12-5-7-13(8-6-12)22(25)26/h1-8,11H,9-10H2,(H,18,24)(H,20,23).
What are the key properties of N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide?
N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide has a molecular weight of 353.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-4-nitrobenzamide is sourced from PubChem (CID 25405015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).