1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one

C20H19ClN4O2S — CID 42893462

IUPAC1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCC(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H19ClN4O2S/c1-13(18(26)24-10-9-22-19(24)27)28-20-23-16-11-15(21)7-8-17(16)25(20)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,27)
InChIKeyNUYCCWCBCWKMAI-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.77
Rot. Bonds5

About 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one

1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 42893462) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID42893462
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCC(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H19ClN4O2S/c1-13(18(26)24-10-9-22-19(24)27)28-20-23-16-11-15(21)7-8-17(16)25(20)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,27)
InChIKeyNUYCCWCBCWKMAI-UHFFFAOYSA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
CID 7024063
7-chloro-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 8726531
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 46674728
(2S)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 41082919
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
1-[(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8861400
1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17399038
(2S)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 25346331
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4815297
1-[(2R)-2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8885901

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one (CID 42893462) is 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one is CC(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is NUYCCWCBCWKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-13(18(26)24-10-9-22-19(24)27)28-20-23-16-11-15(21)7-8-17(16)25(20)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,27).
What are the key properties of 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 414.92 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 42893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).