4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide

C20H23N5O4 — CID 24516350

IUPAC4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N5O4/c1-14-23-17-5-3-4-6-18(17)24(14)11-9-22-20(26)15-7-8-16(21-10-12-29-2)19(13-15)25(27)28/h3-8,13,21H,9-12H2,1-2H3,(H,22,26)
InChIKeyYZJFLXSNJUWHRH-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.74
Rot. Bonds9

About 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide

4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide (PubChem CID 24516350) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide
PubChem CID24516350
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N5O4/c1-14-23-17-5-3-4-6-18(17)24(14)11-9-22-20(26)15-7-8-16(21-10-12-29-2)19(13-15)25(27)28/h3-8,13,21H,9-12H2,1-2H3,(H,22,26)
InChIKeyYZJFLXSNJUWHRH-UHFFFAOYSA-N
XLogP2.74
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24554264
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
4-(2-methoxyethylamino)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 24512537
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31789852
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide?
The IUPAC name of 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide (CID 24516350) is 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide is COCCNc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide?
The InChIKey is YZJFLXSNJUWHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-14-23-17-5-3-4-6-18(17)24(14)11-9-22-20(26)15-7-8-16(21-10-12-29-2)19(13-15)25(27)28/h3-8,13,21H,9-12H2,1-2H3,(H,22,26).
What are the key properties of 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide?
4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide has a molecular weight of 397.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 24516350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).