4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one

C15H11ClN4O2S — CID 10150039

IUPAC4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(CO)cc(Sc3nc4ccc(Cl)cc4[nH]3)c2[nH]1
InChIInChI=1S/C15H11ClN4O2S/c16-8-1-2-9-10(5-8)19-15(18-9)23-12-4-7(6-21)3-11-13(12)20-14(22)17-11/h1-5,21H,6H2,(H,18,19)(H2,17,20,22)
InChIKeyFVAZHNUQFXIPGT-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.03
Rot. Bonds3

About 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one

4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 10150039) has the molecular formula C15H11ClN4O2S and a molecular weight of 346.80 g/mol. Its IUPAC name is 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID10150039
Molecular FormulaC15H11ClN4O2S
Molecular Weight346.80 g/mol
Exact Mass346.03
IUPAC Name4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(CO)cc(Sc3nc4ccc(Cl)cc4[nH]3)c2[nH]1
InChIInChI=1S/C15H11ClN4O2S/c16-8-1-2-9-10(5-8)19-15(18-9)23-12-4-7(6-21)3-11-13(12)20-14(22)17-11/h1-5,21H,6H2,(H,18,19)(H2,17,20,22)
InChIKeyFVAZHNUQFXIPGT-UHFFFAOYSA-N
XLogP3.03
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-piperidin-4-yl-1,3-dihydrobenzimidazole-5-carboxamide
CID 10217969
7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 10174248
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 36688844
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 50878281
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
CID 141163646
[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63836193
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2483829
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
1-[4-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864533
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one (CID 10150039) is 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(CO)cc(Sc3nc4ccc(Cl)cc4[nH]3)c2[nH]1.
What is the InChIKey of 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FVAZHNUQFXIPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2S/c16-8-1-2-9-10(5-8)19-15(18-9)23-12-4-7(6-21)3-11-13(12)20-14(22)17-11/h1-5,21H,6H2,(H,18,19)(H2,17,20,22).
What are the key properties of 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one?
4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 346.80 g/mol, XLogP of 3.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 10150039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).