N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide

C14H19N3OS — CID 50968638

IUPACN-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCC(C)N(Cc1sccc1C)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H19N3OS/c1-4-11(3)17(8-13-10(2)5-6-19-13)14(18)12-7-15-9-16-12/h5-7,9,11H,4,8H2,1-3H3,(H,15,16)
InChIKeyKLIBJLAGVDJKSA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.22
Rot. Bonds5

About N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide

N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 50968638) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide
PubChem CID50968638
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCCC(C)N(Cc1sccc1C)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H19N3OS/c1-4-11(3)17(8-13-10(2)5-6-19-13)14(18)12-7-15-9-16-12/h5-7,9,11H,4,8H2,1-3H3,(H,15,16)
InChIKeyKLIBJLAGVDJKSA-UHFFFAOYSA-N
XLogP3.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide (CID 50968638) is N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide is CCC(C)N(Cc1sccc1C)C(=O)c1cnc[nH]1.
What is the InChIKey of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is KLIBJLAGVDJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-11(3)17(8-13-10(2)5-6-19-13)14(18)12-7-15-9-16-12/h5-7,9,11H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide?
N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 50968638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).