2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

C16H18N4O — CID 91789836

IUPAC2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCN(CCCc1nccn1C)C(=O)c1ccccc1C#N
InChIInChI=1S/C16H18N4O/c1-19-11-9-18-15(19)8-5-10-20(2)16(21)14-7-4-3-6-13(14)12-17/h3-4,6-7,9,11H,5,8,10H2,1-2H3
InChIKeyGLOYORSEJLGOPI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.00
Rot. Bonds5

About 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (PubChem CID 91789836) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
PubChem CID91789836
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCN(CCCc1nccn1C)C(=O)c1ccccc1C#N
InChIInChI=1S/C16H18N4O/c1-19-11-9-18-15(19)8-5-10-20(2)16(21)14-7-4-3-6-13(14)12-17/h3-4,6-7,9,11H,5,8,10H2,1-2H3
InChIKeyGLOYORSEJLGOPI-UHFFFAOYSA-N
XLogP2.00
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 118784969
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70710732
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
CID 91784001
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
CID 125158267
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 91792038
(2S)-2-amino-3-(1H-indol-3-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 154902585
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The IUPAC name of 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (CID 91789836) is 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is CN(CCCc1nccn1C)C(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The InChIKey is GLOYORSEJLGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-11-9-18-15(19)8-5-10-20(2)16(21)14-7-4-3-6-13(14)12-17/h3-4,6-7,9,11H,5,8,10H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide has a molecular weight of 282.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 91789836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).