2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

C13H18N4OS — CID 55126608

IUPAC2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCNC(C)(CSc1nc2ccc(C)cc2[nH]1)C(N)=O
InChIInChI=1S/C13H18N4OS/c1-8-4-5-9-10(6-8)17-12(16-9)19-7-13(2,15-3)11(14)18/h4-6,15H,7H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyPISIVQQZHCLTAT-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.43
Rot. Bonds5

About 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (PubChem CID 55126608) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
PubChem CID55126608
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCNC(C)(CSc1nc2ccc(C)cc2[nH]1)C(N)=O
InChIInChI=1S/C13H18N4OS/c1-8-4-5-9-10(6-8)17-12(16-9)19-7-13(2,15-3)11(14)18/h4-6,15H,7H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyPISIVQQZHCLTAT-UHFFFAOYSA-N
XLogP1.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62874609
2-methyl-2-(methylamino)-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentanoic acid
CID 62873921
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
CID 2443532
methyl 2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875615
2-(ethylamino)-2-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 62874770
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
2-amino-2-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64806936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (CID 55126608) is 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide is CNC(C)(CSc1nc2ccc(C)cc2[nH]1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The InChIKey is PISIVQQZHCLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-4-5-9-10(6-8)17-12(16-9)19-7-13(2,15-3)11(14)18/h4-6,15H,7H2,1-3H3,(H2,14,18)(H,16,17).
What are the key properties of 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide?
2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide has a molecular weight of 278.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 55126608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).