N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide

C15H15N3OS — CID 935525

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)c1cccs1
InChIInChI=1S/C15H15N3OS/c1-17(15(19)13-8-5-9-20-13)10-14-16-11-6-3-4-7-12(11)18(14)2/h3-9H,10H2,1-2H3
InChIKeyYFTKJBNCJJPKBK-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.91
Rot. Bonds3

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 935525) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID935525
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)c1cccs1
InChIInChI=1S/C15H15N3OS/c1-17(15(19)13-8-5-9-20-13)10-14-16-11-6-3-4-7-12(11)18(14)2/h3-9H,10H2,1-2H3
InChIKeyYFTKJBNCJJPKBK-UHFFFAOYSA-N
XLogP2.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 935525) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide is CN(Cc1nc2ccccc2n1C)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YFTKJBNCJJPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-17(15(19)13-8-5-9-20-13)10-14-16-11-6-3-4-7-12(11)18(14)2/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 935525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).