N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide

C15H17N3OS — CID 47235914

IUPACN-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCC2CC2)c1
InChIInChI=1S/C15H17N3OS/c1-20-15-16-7-8-18(15)13-4-2-3-12(9-13)14(19)17-10-11-5-6-11/h2-4,7-9,11H,5-6,10H2,1H3,(H,17,19)
InChIKeyTYKGOPPRNODODY-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.73
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 47235914) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID47235914
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCC2CC2)c1
InChIInChI=1S/C15H17N3OS/c1-20-15-16-7-8-18(15)13-4-2-3-12(9-13)14(19)17-10-11-5-6-11/h2-4,7-9,11H,5-6,10H2,1H3,(H,17,19)
InChIKeyTYKGOPPRNODODY-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide 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-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 47235914) is N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1cccc(C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is TYKGOPPRNODODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-15-16-7-8-18(15)13-4-2-3-12(9-13)14(19)17-10-11-5-6-11/h2-4,7-9,11H,5-6,10H2,1H3,(H,17,19).
What are the key properties of N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 287.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 47235914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).