methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate

C15H13N3O2S — CID 3334

IUPACmethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyHDDSHPAODJUKPD-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.89
Rot. Bonds3

About methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate

methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 3334) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
PubChem CID3334
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyHDDSHPAODJUKPD-UHFFFAOYSA-N
XLogP3.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Albendazole
CID 2082
Oxfendazole
CID 40854
Carbendazim
CID 25429
Albendazole Oxide
CID 83969
Lobendazole
CID 22752
Albendazole sulfone
CID 53174
Denibulin
CID 11661758
4-(1H-benzimidazol-2-ylthio)aniline
CID 2398100
Methiazole
CID 6604471
TIE-2/VEGFR-2 kinase-IN-3
CID 10186269
Oxfendazole sulfone
CID 162136
Albendazole-2-aminosulfone
CID 88125

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate (CID 3334) is methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1.
What is the InChIKey of methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is HDDSHPAODJUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 299.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 3334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).