3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide

C19H16N4O2 — CID 71869463

IUPAC3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)c1
InChIInChI=1S/C19H16N4O2/c1-21-19(25)13-7-5-6-12(10-13)17(24)14(11-20)18-22-15-8-3-4-9-16(15)23(18)2/h3-10,14H,1-2H3,(H,21,25)
InChIKeyAIBOGKLDVVXQQP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.42
Rot. Bonds4

About 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide

3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide (PubChem CID 71869463) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide
PubChem CID71869463
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)c1
InChIInChI=1S/C19H16N4O2/c1-21-19(25)13-7-5-6-12(10-13)17(24)14(11-20)18-22-15-8-3-4-9-16(15)23(18)2/h3-10,14H,1-2H3,(H,21,25)
InChIKeyAIBOGKLDVVXQQP-UHFFFAOYSA-N
XLogP2.42
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(2,1,3-benzothiadiazol-5-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 129358178
2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 78869260
(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile
CID 97254457
(2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 25390317
2-(1-methylbenzimidazol-2-yl)-3-(3-methylfuran-2-yl)-3-oxopropanenitrile
CID 78869257
(E)-4-methyl-2-(1-methylbenzimidazol-2-yl)-3-oxohex-4-enenitrile
CID 132969255
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-oxo-3H-phthalazin-1-yl)propanenitrile
CID 4791990
N-(4-chlorophenyl)-3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-prop-2-enylbenzenesulfonamide
CID 4830567
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 78895479
5-ethylsulfanyl-2-(1-methylbenzimidazol-2-yl)-3-oxopentanenitrile
CID 87011599

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide?
The IUPAC name of 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide (CID 71869463) is 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide is CNC(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3n2C)c1.
What is the InChIKey of 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide?
The InChIKey is AIBOGKLDVVXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-21-19(25)13-7-5-6-12(10-13)17(24)14(11-20)18-22-15-8-3-4-9-16(15)23(18)2/h3-10,14H,1-2H3,(H,21,25).
What are the key properties of 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide?
3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide has a molecular weight of 332.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide is sourced from PubChem (CID 71869463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).