2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C12H16N4O — CID 116914786

IUPAC2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(C(C(N)=O)N(C)C)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-7-14-9-5-4-8(6-10(9)15-7)11(12(13)17)16(2)3/h4-6,11H,1-3H3,(H2,13,17)(H,14,15)
InChIKeyZMRODXWYLOAGBR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.96
Rot. Bonds3

About 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 116914786) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID116914786
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(C(C(N)=O)N(C)C)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-7-14-9-5-4-8(6-10(9)15-7)11(12(13)17)16(2)3/h4-6,11H,1-3H3,(H2,13,17)(H,14,15)
InChIKeyZMRODXWYLOAGBR-UHFFFAOYSA-N
XLogP0.96
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 116857491
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
CID 116909830
1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 116914174
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
CID 99987005

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 116914786) is 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(C(C(N)=O)N(C)C)cc2[nH]1.
What is the InChIKey of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is ZMRODXWYLOAGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-14-9-5-4-8(6-10(9)15-7)11(12(13)17)16(2)3/h4-6,11H,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 116914786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).