N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

C15H15N3OS — CID 60651360

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-10-5-6-20-14(10)8-18(2)15(19)11-3-4-12-13(7-11)17-9-16-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyLGBXJMHLPRULMM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 60651360) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID60651360
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H15N3OS/c1-10-5-6-20-14(10)8-18(2)15(19)11-3-4-12-13(7-11)17-9-16-12/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyLGBXJMHLPRULMM-UHFFFAOYSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 46994975
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
CID 63717490
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 110743759
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
4-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 9020526
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51181597

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 60651360) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1ccsc1CN(C)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LGBXJMHLPRULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-5-6-20-14(10)8-18(2)15(19)11-3-4-12-13(7-11)17-9-16-12/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 60651360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).