N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C17H16FN3OS — CID 2997515

IUPACN-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H16FN3OS/c1-21-15-5-3-2-4-14(15)20-17(21)23-11-16(22)19-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyDYHWFZJUFCNWBE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.12
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 2997515) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID2997515
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H16FN3OS/c1-21-15-5-3-2-4-14(15)20-17(21)23-11-16(22)19-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyDYHWFZJUFCNWBE-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 2997515) is N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is DYHWFZJUFCNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-21-15-5-3-2-4-14(15)20-17(21)23-11-16(22)19-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 2997515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).