N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide

C14H18ClN3OS — CID 47046624

IUPACN-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3OS/c1-14(2,3)17-12(19)8-20-13-16-10-7-9(15)5-6-11(10)18(13)4/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyULRNBDHGRIELFV-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.23
Rot. Bonds3

About N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide

N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 47046624) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID47046624
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3OS/c1-14(2,3)17-12(19)8-20-13-16-10-7-9(15)5-6-11(10)18(13)4/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyULRNBDHGRIELFV-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 47046616
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 52644614
N-tert-butyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624649
N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
CID 7797003
2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 47046613
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214185
N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 39968687
N-tert-butyl-2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 2491173
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55772019
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 47058492

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 47046624) is N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc21.
What is the InChIKey of N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is ULRNBDHGRIELFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-14(2,3)17-12(19)8-20-13-16-10-7-9(15)5-6-11(10)18(13)4/h5-7H,8H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 311.84 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 47046624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).