N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide

C17H18N4OS — CID 84591404

IUPACN-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1NCc1ncc[nH]1)C(=O)c1cccs1
InChIInChI=1S/C17H18N4OS/c1-21(17(22)15-7-4-10-23-15)12-13-5-2-3-6-14(13)20-11-16-18-8-9-19-16/h2-10,20H,11-12H2,1H3,(H,18,19)
InChIKeyKJCKMJNNZXCNSC-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.36
Rot. Bonds6

About N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide

N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide (PubChem CID 84591404) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
PubChem CID84591404
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1NCc1ncc[nH]1)C(=O)c1cccs1
InChIInChI=1S/C17H18N4OS/c1-21(17(22)15-7-4-10-23-15)12-13-5-2-3-6-14(13)20-11-16-18-8-9-19-16/h2-10,20H,11-12H2,1H3,(H,18,19)
InChIKeyKJCKMJNNZXCNSC-UHFFFAOYSA-N
XLogP3.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide (CID 84591404) is N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide is CN(Cc1ccccc1NCc1ncc[nH]1)C(=O)c1cccs1.
What is the InChIKey of N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is KJCKMJNNZXCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21(17(22)15-7-4-10-23-15)12-13-5-2-3-6-14(13)20-11-16-18-8-9-19-16/h2-10,20H,11-12H2,1H3,(H,18,19).
What are the key properties of N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide?
N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-imidazol-2-ylmethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 84591404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).