2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

C17H19N3OS — CID 50984844

IUPAC2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-12-8-9-22-16(12)10-19(3)17(21)13(2)20-11-18-14-6-4-5-7-15(14)20/h4-9,11,13H,10H2,1-3H3
InChIKeyAMLDLDGFNHNBBF-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.63
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 50984844) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID50984844
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(C)C(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-12-8-9-22-16(12)10-19(3)17(21)13(2)20-11-18-14-6-4-5-7-15(14)20/h4-9,11,13H,10H2,1-3H3
InChIKeyAMLDLDGFNHNBBF-UHFFFAOYSA-N
XLogP3.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 154913475
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
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CID 115186262
2-(benzimidazol-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
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CID 79201552
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 50984844) is 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CN(C)C(=O)C(C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is AMLDLDGFNHNBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-8-9-22-16(12)10-19(3)17(21)13(2)20-11-18-14-6-4-5-7-15(14)20/h4-9,11,13H,10H2,1-3H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 313.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 50984844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).