N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide

C16H16N4O — CID 2094784

IUPACN-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N4O/c1-20(2)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyYBHKNPOLPRIBBG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.88
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide

N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide (PubChem CID 2094784) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide
PubChem CID2094784
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N4O/c1-20(2)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyYBHKNPOLPRIBBG-UHFFFAOYSA-N
XLogP2.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Cyclobendazole
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N-(1H-Benzimidazol-2-YL)-3-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide (CID 2094784) is N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide?
The InChIKey is YBHKNPOLPRIBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide?
N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 2094784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).