N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide

C19H19N5O4 — CID 24554264

IUPACN-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H19N5O4/c1-13-22-16-7-2-3-8-17(16)23(13)10-9-20-18(25)12-21-19(26)14-5-4-6-15(11-14)24(27)28/h2-8,11H,9-10,12H2,1H3,(H,20,25)(H,21,26)
InChIKeyXRHOZNGLTQLFQL-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide

N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide (PubChem CID 24554264) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
PubChem CID24554264
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H19N5O4/c1-13-22-16-7-2-3-8-17(16)23(13)10-9-20-18(25)12-21-19(26)14-5-4-6-15(11-14)24(27)28/h2-8,11H,9-10,12H2,1H3,(H,20,25)(H,21,26)
InChIKeyXRHOZNGLTQLFQL-UHFFFAOYSA-N
XLogP1.80
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.80
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-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-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-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
N-[2-[[(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 56519413
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide
CID 24516350
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 24554267
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 40716543
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-nitro-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 40728196

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide (CID 24554264) is N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide is Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is XRHOZNGLTQLFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-13-22-16-7-2-3-8-17(16)23(13)10-9-20-18(25)12-21-19(26)14-5-4-6-15(11-14)24(27)28/h2-8,11H,9-10,12H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide?
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 381.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 24554264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).