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

C12H15N3O2S — CID 2082

IUPACmethyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHXHWSAZORRCQMX-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.24
Rot. Bonds4

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

methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 2082) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
PubChem CID2082
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namemethyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHXHWSAZORRCQMX-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3334
Oxfendazole
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Carbendazim
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Albendazole Oxide
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Lobendazole
CID 22752
Albendazole sulfone
CID 53174
(2-Benzimidazolylmethylthio)-acetic acid
CID 275437
Denibulin
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Methiazole
CID 6604471
TIE-2/VEGFR-2 kinase-IN-3
CID 10186269
ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
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Mecarbinzid
CID 20055210

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate (CID 2082) is methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate is CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1.
What is the InChIKey of methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is HXHWSAZORRCQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 265.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 2082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).