2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide

C19H20FN3OS — CID 43814540

IUPAC2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3OS/c1-13(2)21-18(24)12-25-19-22-16-5-3-4-6-17(16)23(19)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyDXKKEEFSVXAONM-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.84
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide

2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 43814540) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID43814540
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3OS/c1-13(2)21-18(24)12-25-19-22-16-5-3-4-6-17(16)23(19)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyDXKKEEFSVXAONM-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 1470410
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 3224826
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 1414560
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
methyl 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 43814545
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
[2-(3-methoxyanilino)-2-oxoethyl] 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetate
CID 46267794

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide (CID 43814540) is 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is DXKKEEFSVXAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-13(2)21-18(24)12-25-19-22-16-5-3-4-6-17(16)23(19)11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide?
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 357.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43814540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).