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

C12H15N3O2S — CID 6604471

IUPACmethyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(SC(C)C)cc2[nH]1
InChIInChI=1S/C12H15N3O2S/c1-7(2)18-8-4-5-9-10(6-8)14-11(13-9)15-12(16)17-3/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeySXJIZQPZESTWLD-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.24
Rot. Bonds3

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

methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 6604471) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate
PubChem CID6604471
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namemethyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(SC(C)C)cc2[nH]1
InChIInChI=1S/C12H15N3O2S/c1-7(2)18-8-4-5-9-10(6-8)14-11(13-9)15-12(16)17-3/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeySXJIZQPZESTWLD-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Albendazole
CID 2082
Fenbendazole
CID 3334
Oxfendazole
CID 40854
Carbendazim
CID 25429
Albendazole Oxide
CID 83969
Lobendazole
CID 22752
Albendazole sulfone
CID 53174
Denibulin
CID 11661758
(2-Benzimidazolylmethylthio)-acetic acid
CID 275437
Mecarbinzid
CID 20055210
TIE-2/VEGFR-2 kinase-IN-3
CID 10186269
ethyl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
CID 21564

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate (CID 6604471) is methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(SC(C)C)cc2[nH]1.
What is the InChIKey of methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is SXJIZQPZESTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7(2)18-8-4-5-9-10(6-8)14-11(13-9)15-12(16)17-3/h4-7H,1-3H3,(H2,13,14,15,16).
What are the key properties of methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 265.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 6604471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).