N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C15H14BrN3O2S — CID 32778294

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)NCc2ccc(Br)s2)c2ccccc21
InChIInChI=1S/C15H14BrN3O2S/c1-18-11-4-2-3-5-12(11)19(15(18)21)9-14(20)17-8-10-6-7-13(16)22-10/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyQTBMIKDFWFFCLP-UHFFFAOYSA-N
MW380.27 g/mol
LogP2.48
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 32778294) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID32778294
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)NCc2ccc(Br)s2)c2ccccc21
InChIInChI=1S/C15H14BrN3O2S/c1-18-11-4-2-3-5-12(11)19(15(18)21)9-14(20)17-8-10-6-7-13(16)22-10/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyQTBMIKDFWFFCLP-UHFFFAOYSA-N
XLogP2.48
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
N-[(5-bromothiophen-2-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32776574
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 47082712
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17497629
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17454926
N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32917381
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24611766

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 32778294) is N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cn1c(=O)n(CC(=O)NCc2ccc(Br)s2)c2ccccc21.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is QTBMIKDFWFFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c1-18-11-4-2-3-5-12(11)19(15(18)21)9-14(20)17-8-10-6-7-13(16)22-10/h2-7H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 380.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 32778294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).