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

C14H18N4O — CID 63213649

IUPACN-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCCn2ccnc2)cc1C
InChIInChI=1S/C14H18N4O/c1-11-9-12(3-4-13(11)15-2)14(19)17-6-8-18-7-5-16-10-18/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,17,19)
InChIKeyVFPGSOAJSTZMOF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.66
Rot. Bonds5

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

N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide (PubChem CID 63213649) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
PubChem CID63213649
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCCn2ccnc2)cc1C
InChIInChI=1S/C14H18N4O/c1-11-9-12(3-4-13(11)15-2)14(19)17-6-8-18-7-5-16-10-18/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,17,19)
InChIKeyVFPGSOAJSTZMOF-UHFFFAOYSA-N
XLogP1.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
4-(2-imidazol-1-ylethylcarbamoylamino)-3-methylbenzoic acid
CID 61461928
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
3,5-difluoro-N-(2-imidazol-1-ylethyl)-4-(methylamino)benzamide
CID 63185767
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide (CID 63213649) is N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)NCCn2ccnc2)cc1C.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide?
The InChIKey is VFPGSOAJSTZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-12(3-4-13(11)15-2)14(19)17-6-8-18-7-5-16-10-18/h3-5,7,9-10,15H,6,8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide?
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.66, 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)-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 63213649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).