N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide

C11H13N3OS — CID 115167209

IUPACN-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
SMILESCn1cnc2cc(CNC(=O)CS)ccc21
InChIInChI=1S/C11H13N3OS/c1-14-7-13-9-4-8(2-3-10(9)14)5-12-11(15)6-16/h2-4,7,16H,5-6H2,1H3,(H,12,15)
InChIKeyMKIQVZUQMZSUQJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.12
Rot. Bonds3

About N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide

N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide (PubChem CID 115167209) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
PubChem CID115167209
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
SMILESCn1cnc2cc(CNC(=O)CS)ccc21
InChIInChI=1S/C11H13N3OS/c1-14-7-13-9-4-8(2-3-10(9)14)5-12-11(15)6-16/h2-4,7,16H,5-6H2,1H3,(H,12,15)
InChIKeyMKIQVZUQMZSUQJ-UHFFFAOYSA-N
XLogP1.12
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 166313203
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
CID 139018215
4-(1-methylbenzimidazol-5-yl)butanehydrazide
CID 116843638

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide?
The IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide (CID 115167209) is N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide is Cn1cnc2cc(CNC(=O)CS)ccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide?
The InChIKey is MKIQVZUQMZSUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-14-7-13-9-4-8(2-3-10(9)14)5-12-11(15)6-16/h2-4,7,16H,5-6H2,1H3,(H,12,15).
What are the key properties of N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide?
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide has a molecular weight of 235.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide is sourced from PubChem (CID 115167209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).