3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide

C12H16N4O — CID 116850693

IUPAC3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCNC(=O)CC(N)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-7-15-10-4-3-8(5-11(10)16-7)9(13)6-12(17)14-2/h3-5,9H,6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDEYMQPYEXUQEQM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.01
Rot. Bonds3

About 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide

3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 116850693) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
PubChem CID116850693
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCNC(=O)CC(N)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-7-15-10-4-3-8(5-11(10)16-7)9(13)6-12(17)14-2/h3-5,9H,6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDEYMQPYEXUQEQM-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
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
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide (CID 116850693) is 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide is CNC(=O)CC(N)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is DEYMQPYEXUQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-15-10-4-3-8(5-11(10)16-7)9(13)6-12(17)14-2/h3-5,9H,6,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide?
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 232.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 116850693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).