N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide

C17H21N7O2 — CID 166272190

IUPACN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide
SMILESCN(C)CCn1cnc2cc(NC(=O)C(=O)Nc3ccn(C)n3)ccc21
InChIInChI=1S/C17H21N7O2/c1-22(2)8-9-24-11-18-13-10-12(4-5-14(13)24)19-16(25)17(26)20-15-6-7-23(3)21-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,25)(H,20,21,26)
InChIKeyOIRWASRMAWASDB-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.91
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide

N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide (PubChem CID 166272190) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide
PubChem CID166272190
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide
SMILESCN(C)CCn1cnc2cc(NC(=O)C(=O)Nc3ccn(C)n3)ccc21
InChIInChI=1S/C17H21N7O2/c1-22(2)8-9-24-11-18-13-10-12(4-5-14(13)24)19-16(25)17(26)20-15-6-7-23(3)21-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,25)(H,20,21,26)
InChIKeyOIRWASRMAWASDB-UHFFFAOYSA-N
XLogP0.91
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 167866814
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CID 52898750
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 52901021
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 122169438
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91823055
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239523
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97456362
N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
2-(6-bromoimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylethanamine
CID 59636345

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide (CID 166272190) is N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide is CN(C)CCn1cnc2cc(NC(=O)C(=O)Nc3ccn(C)n3)ccc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide?
The InChIKey is OIRWASRMAWASDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-22(2)8-9-24-11-18-13-10-12(4-5-14(13)24)19-16(25)17(26)20-15-6-7-23(3)21-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,25)(H,20,21,26).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide?
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide has a molecular weight of 355.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide is sourced from PubChem (CID 166272190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).