2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone

C16H17N3OS — CID 743969

IUPAC2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-9-18-12-6-3-4-7-13(12)19(16(18)17)11-14(20)15-8-5-10-21-15/h3-8,10,17H,2,9,11H2,1H3/b17-16+
InChIKeyHNRDJUNVFHZJBQ-WUKNDPDISA-N
MW299.40 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone

2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone (PubChem CID 743969) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone
PubChem CID743969
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-9-18-12-6-3-4-7-13(12)19(16(18)17)11-14(20)15-8-5-10-21-15/h3-8,10,17H,2,9,11H2,1H3/b17-16+
InChIKeyHNRDJUNVFHZJBQ-WUKNDPDISA-N
XLogP3.28
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Bromo-thiophen-2-yl)-2-(3,4-dihydro-2H-benzo[4,5]imidazo[1,2-a]pyrimidin-10-yl)-ethanone
CID 2851286
1-(5-Bromo-thiophen-2-yl)-2-(2-imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl)-ethanone
CID 2858419
2-(2-imino-3-methyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(thiophen-2-yl)ethanone hydrobromide
CID 11957168
1-(5-Bromothiophen-2-yl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
CID 16188408
N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 889679
2-(2-imino-3-(2-(piperidin-1-yl)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(thiophen-2-yl)ethanone hydrobromide
CID 16189276
1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone
CID 626572
2-Benzimidazolinone, 1-(1-(3-(2-thenoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-
CID 380235
2-methyl-5-[2-oxo-2-(thiophen-2-yl)ethyl][1,2,4]triazino[2,3-a]benzimidazol-3(5H)-one
CID 777752
2-(3-Benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-1-thiophen-2-yl-ethanone
CID 2853814
2-(3-Benzyl-2-imino-1,3-benzodiazol-1-YL)-1-(5-bromothiophen-2-YL)ethanone hydrobromide
CID 2858900
2-(3-allyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(5-bromo-2-thienyl)ethanone
CID 2859332

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone (CID 743969) is 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone is [H]/N=c1\n(CCC)c2ccccc2n1CC(=O)c1cccs1.
What is the InChIKey of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is HNRDJUNVFHZJBQ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-9-18-12-6-3-4-7-13(12)19(16(18)17)11-14(20)15-8-5-10-21-15/h3-8,10,17H,2,9,11H2,1H3/b17-16+.
What are the key properties of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone?
2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 299.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-propylbenzimidazol-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 743969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).