5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C15H21N5O — CID 61214440

IUPAC5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H21N5O/c1-19(2)13-5-4-11(16)10-12(13)15(21)18-7-6-14-17-8-9-20(14)3/h4-5,8-10H,6-7,16H2,1-3H3,(H,18,21)
InChIKeyZHIWRJSDSHVLCB-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.04
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 61214440) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID61214440
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCCc1nccn1C
InChIInChI=1S/C15H21N5O/c1-19(2)13-5-4-11(16)10-12(13)15(21)18-7-6-14-17-8-9-20(14)3/h4-5,8-10H,6-7,16H2,1-3H3,(H,18,21)
InChIKeyZHIWRJSDSHVLCB-UHFFFAOYSA-N
XLogP1.04
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 61213141
2,4-diamino-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296114
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62814568
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 61214440) is 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is CN(C)c1ccc(N)cc1C(=O)NCCc1nccn1C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is ZHIWRJSDSHVLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(2)13-5-4-11(16)10-12(13)15(21)18-7-6-14-17-8-9-20(14)3/h4-5,8-10H,6-7,16H2,1-3H3,(H,18,21).
What are the key properties of 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 61214440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).