N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide

C15H20N4O — CID 63213990

IUPACN-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC(C)Cn2ccnc2)cc1C
InChIInChI=1S/C15H20N4O/c1-11-8-13(4-5-14(11)16-3)15(20)18-12(2)9-19-7-6-17-10-19/h4-8,10,12,16H,9H2,1-3H3,(H,18,20)
InChIKeyUBJPKJAWQUUOSV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.05
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide

N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide (PubChem CID 63213990) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
PubChem CID63213990
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC(C)Cn2ccnc2)cc1C
InChIInChI=1S/C15H20N4O/c1-11-8-13(4-5-14(11)16-3)15(20)18-12(2)9-19-7-6-17-10-19/h4-8,10,12,16H,9H2,1-3H3,(H,18,20)
InChIKeyUBJPKJAWQUUOSV-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025352
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-nitrobenzamide
CID 62682502
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide (CID 63213990) is N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)NC(C)Cn2ccnc2)cc1C.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide?
The InChIKey is UBJPKJAWQUUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-13(4-5-14(11)16-3)15(20)18-12(2)9-19-7-6-17-10-19/h4-8,10,12,16H,9H2,1-3H3,(H,18,20).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide?
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63213990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).