N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide

C15H15N3OS — CID 155949376

IUPACN,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1
InChIInChI=1S/C15H15N3OS/c1-10-17-13-7-12(15(19)16-2)3-4-14(13)18(10)8-11-5-6-20-9-11/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeySHHNTSSGEUJHDP-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.81
Rot. Bonds3

About N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide

N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 155949376) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID155949376
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1
InChIInChI=1S/C15H15N3OS/c1-10-17-13-7-12(15(19)16-2)3-4-14(13)18(10)8-11-5-6-20-9-11/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeySHHNTSSGEUJHDP-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide (CID 155949376) is N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1.
What is the InChIKey of N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is SHHNTSSGEUJHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-17-13-7-12(15(19)16-2)3-4-14(13)18(10)8-11-5-6-20-9-11/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide?
N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(thiophen-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 155949376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).