N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide

C13H16N4O — CID 61375960

IUPACN-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCn1ccnc1
InChIInChI=1S/C13H16N4O/c1-14-12-5-3-2-4-11(12)13(18)16-7-9-17-8-6-15-10-17/h2-6,8,10,14H,7,9H2,1H3,(H,16,18)
InChIKeyITCRYDRUTGGFHB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.35
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide

N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide (PubChem CID 61375960) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
PubChem CID61375960
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCn1ccnc1
InChIInChI=1S/C13H16N4O/c1-14-12-5-3-2-4-11(12)13(18)16-7-9-17-8-6-15-10-17/h2-6,8,10,14H,7,9H2,1H3,(H,16,18)
InChIKeyITCRYDRUTGGFHB-UHFFFAOYSA-N
XLogP1.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(methylamino)-2-nitrobenzamide
CID 115548920
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 110205681
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011
3-amino-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 115548921

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide (CID 61375960) is N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide?
The InChIKey is ITCRYDRUTGGFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-12-5-3-2-4-11(12)13(18)16-7-9-17-8-6-15-10-17/h2-6,8,10,14H,7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide?
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide is sourced from PubChem (CID 61375960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).