N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide

C20H23N5O2 — CID 108529290

IUPACN-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C20H23N5O2/c1-4-25(5-2)15-7-9-16(13(3)10-15)24-20(27)19(26)23-14-6-8-17-18(11-14)22-12-21-17/h6-12H,4-5H2,1-3H3,(H,21,22)(H,23,26)(H,24,27)
InChIKeyJMOVTJODIJJCOH-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.29
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide

N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide (PubChem CID 108529290) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
PubChem CID108529290
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3nc[nH]c3c2)c(C)c1
InChIInChI=1S/C20H23N5O2/c1-4-25(5-2)15-7-9-16(13(3)10-15)24-20(27)19(26)23-14-6-8-17-18(11-14)22-12-21-17/h6-12H,4-5H2,1-3H3,(H,21,22)(H,23,26)(H,24,27)
InChIKeyJMOVTJODIJJCOH-UHFFFAOYSA-N
XLogP3.29
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
CID 110772496
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
CID 108885872
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245
N-(4-chloro-3-nitrophenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108512851
N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526708
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide (CID 108529290) is N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc3nc[nH]c3c2)c(C)c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
The InChIKey is JMOVTJODIJJCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-25(5-2)15-7-9-16(13(3)10-15)24-20(27)19(26)23-14-6-8-17-18(11-14)22-12-21-17/h6-12H,4-5H2,1-3H3,(H,21,22)(H,23,26)(H,24,27).
What are the key properties of N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide?
N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide has a molecular weight of 365.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide is sourced from PubChem (CID 108529290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).