N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide

C10H11N3OS — CID 58957158

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3OS/c14-10(6-15)11-5-9-12-7-3-1-2-4-8(7)13-9/h1-4,15H,5-6H2,(H,11,14)(H,12,13)
InChIKeyIKZQNQHRYUDFKI-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.11
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide

N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide (PubChem CID 58957158) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
PubChem CID58957158
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3OS/c14-10(6-15)11-5-9-12-7-3-1-2-4-8(7)13-9/h1-4,15H,5-6H2,(H,11,14)(H,12,13)
InChIKeyIKZQNQHRYUDFKI-UHFFFAOYSA-N
XLogP1.11
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide (CID 58957158) is N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide is O=C(CS)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide?
The InChIKey is IKZQNQHRYUDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-10(6-15)11-5-9-12-7-3-1-2-4-8(7)13-9/h1-4,15H,5-6H2,(H,11,14)(H,12,13).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide has a molecular weight of 221.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide is sourced from PubChem (CID 58957158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).