N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide

C17H22N4O — CID 119071961

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCc2cncn2C2CC2)cc1
InChIInChI=1S/C17H22N4O/c1-20(2)11-13-3-5-14(6-4-13)17(22)19-10-16-9-18-12-21(16)15-7-8-15/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyDAQISZUAIZEJJG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.21
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide

N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide (PubChem CID 119071961) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide
PubChem CID119071961
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NCc2cncn2C2CC2)cc1
InChIInChI=1S/C17H22N4O/c1-20(2)11-13-3-5-14(6-4-13)17(22)19-10-16-9-18-12-21(16)15-7-8-15/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyDAQISZUAIZEJJG-UHFFFAOYSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide (CID 119071961) is N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)NCc2cncn2C2CC2)cc1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
The InChIKey is DAQISZUAIZEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)11-13-3-5-14(6-4-13)17(22)19-10-16-9-18-12-21(16)15-7-8-15/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide?
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 119071961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).