N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide

C20H22FN3OS — CID 43814509

IUPACN,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C20H22FN3OS/c1-3-23(4-2)19(25)14-26-20-22-17-11-7-8-12-18(17)24(20)13-15-9-5-6-10-16(15)21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyFLGMKIYCPDFNPL-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.18
Rot. Bonds7

About N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide

N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide (PubChem CID 43814509) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
PubChem CID43814509
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC NameN,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C20H22FN3OS/c1-3-23(4-2)19(25)14-26-20-22-17-11-7-8-12-18(17)24(20)13-15-9-5-6-10-16(15)21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyFLGMKIYCPDFNPL-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide (CID 43814509) is N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is FLGMKIYCPDFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-3-23(4-2)19(25)14-26-20-22-17-11-7-8-12-18(17)24(20)13-15-9-5-6-10-16(15)21/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 371.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 43814509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).