3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide

C17H17N3OS — CID 154795295

IUPAC3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C17H17N3OS/c1-13-10-22-11-16(13)8-19-17(21)15-4-2-3-14(7-15)9-20-6-5-18-12-20/h2-7,10-12H,8-9H2,1H3,(H,19,21)
InChIKeyFPCZWFHMZYJPEM-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.23
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide

3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide (PubChem CID 154795295) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
PubChem CID154795295
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
SMILESCc1cscc1CNC(=O)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C17H17N3OS/c1-13-10-22-11-16(13)8-19-17(21)15-4-2-3-14(7-15)9-20-6-5-18-12-20/h2-7,10-12H,8-9H2,1H3,(H,19,21)
InChIKeyFPCZWFHMZYJPEM-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49344596
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 36889509
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
N-[2-(1-benzofuran-2-yl)ethyl]-3-(imidazol-1-ylmethyl)benzamide
CID 122134954
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide (CID 154795295) is 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide is Cc1cscc1CNC(=O)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide?
The InChIKey is FPCZWFHMZYJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-13-10-22-11-16(13)8-19-17(21)15-4-2-3-14(7-15)9-20-6-5-18-12-20/h2-7,10-12H,8-9H2,1H3,(H,19,21).
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide?
3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide has a molecular weight of 311.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 154795295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).