3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide

C19H20N4O2 — CID 46434262

IUPAC3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)n2cnc3ccccc32)c1C
InChIInChI=1S/C19H20N4O2/c1-12-14(19(25)20-3)7-6-9-15(12)22-18(24)13(2)23-11-21-16-8-4-5-10-17(16)23/h4-11,13H,1-3H3,(H,20,25)(H,22,24)
InChIKeyKQDOCPOWJSDPKU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.90
Rot. Bonds4

About 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide

3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide (PubChem CID 46434262) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide
PubChem CID46434262
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)n2cnc3ccccc32)c1C
InChIInChI=1S/C19H20N4O2/c1-12-14(19(25)20-3)7-6-9-15(12)22-18(24)13(2)23-11-21-16-8-4-5-10-17(16)23/h4-11,13H,1-3H3,(H,20,25)(H,22,24)
InChIKeyKQDOCPOWJSDPKU-UHFFFAOYSA-N
XLogP2.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
CID 94151702
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 48507866
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605
2-(benzimidazol-1-yl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 42959453
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide (CID 46434262) is 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)C(C)n2cnc3ccccc32)c1C.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide?
The InChIKey is KQDOCPOWJSDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-14(19(25)20-3)7-6-9-15(12)22-18(24)13(2)23-11-21-16-8-4-5-10-17(16)23/h4-11,13H,1-3H3,(H,20,25)(H,22,24).
What are the key properties of 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide?
3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 46434262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).