2-methylsulfanylbenzimidazole-1-carboxamide

C9H9N3OS — CID 67564137

IUPAC2-methylsulfanylbenzimidazole-1-carboxamide
SMILESCSc1nc2ccccc2n1C(N)=O
InChIInChI=1S/C9H9N3OS/c1-14-9-11-6-4-2-3-5-7(6)12(9)8(10)13/h2-5H,1H3,(H2,10,13)
InChIKeyNSTXHZADNHLZLK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.68
Rot. Bonds1

About 2-methylsulfanylbenzimidazole-1-carboxamide

2-methylsulfanylbenzimidazole-1-carboxamide (PubChem CID 67564137) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-methylsulfanylbenzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-methylsulfanylbenzimidazole-1-carboxamide
PubChem CID67564137
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-methylsulfanylbenzimidazole-1-carboxamide
SMILESCSc1nc2ccccc2n1C(N)=O
InChIInChI=1S/C9H9N3OS/c1-14-9-11-6-4-2-3-5-7(6)12(9)8(10)13/h2-5H,1H3,(H2,10,13)
InChIKeyNSTXHZADNHLZLK-UHFFFAOYSA-N
XLogP1.68
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methylsulfanylbenzimidazole-1-carboxylate
CID 595855
N-butyl-2-methylsulfanylbenzimidazole-1-carboxamide
CID 5096202
3-(3,4-dimethoxyphenyl)-1-(2-methylsulfanylbenzimidazol-1-yl)prop-2-en-1-one
CID 3591138
3-methyl-5-(2-methylsulfanylbenzimidazol-1-yl)thiophene-2-carboxamide
CID 59855154
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
ethyl 4-(2-methylsulfanylbenzimidazol-1-yl)butanoate
CID 155778353
1-(2-tritylsulfanylbenzimidazol-1-yl)ethanone
CID 59181249
2-aminobenzimidazole-1-carboxylic acid
CID 20537592
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 880169
S-[1-(2-chlorobenzoyl)benzimidazol-2-yl] 2-chlorobenzenecarbothioate
CID 23877965
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylbenzimidazole-1-carboxamide?
The IUPAC name of 2-methylsulfanylbenzimidazole-1-carboxamide (CID 67564137) is 2-methylsulfanylbenzimidazole-1-carboxamide.
What is the SMILES notation for 2-methylsulfanylbenzimidazole-1-carboxamide?
The canonical SMILES for 2-methylsulfanylbenzimidazole-1-carboxamide is CSc1nc2ccccc2n1C(N)=O.
What is the InChIKey of 2-methylsulfanylbenzimidazole-1-carboxamide?
The InChIKey is NSTXHZADNHLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-14-9-11-6-4-2-3-5-7(6)12(9)8(10)13/h2-5H,1H3,(H2,10,13).
What are the key properties of 2-methylsulfanylbenzimidazole-1-carboxamide?
2-methylsulfanylbenzimidazole-1-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylbenzimidazole-1-carboxamide is sourced from PubChem (CID 67564137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).