N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide

C15H12BrN3OS — CID 2644334

IUPACN-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3OS/c16-10-5-7-11(8-6-10)21-9-14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyXDSSAQSXYDADGN-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.06
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide

N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide (PubChem CID 2644334) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
PubChem CID2644334
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3OS/c16-10-5-7-11(8-6-10)21-9-14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyXDSSAQSXYDADGN-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide 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

N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001
2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid
CID 122178132
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
CID 8713802
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 2553894
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 1308854
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
CID 119669181
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 86917491

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide (CID 2644334) is N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide is O=C(CSc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide?
The InChIKey is XDSSAQSXYDADGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c16-10-5-7-11(8-6-10)21-9-14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide?
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide has a molecular weight of 362.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 2644334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).