2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone

C19H24N4OS — CID 1354983

IUPAC2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone
SMILES[H]/N=c1\n(CCN(CC)CC)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C19H24N4OS/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18/h5-10,13,20H,3-4,11-12,14H2,1-2H3/b20-19+
InChIKeyUCXRCKOZRORETI-FMQUCBEESA-N
MW356.50 g/mol
LogP3.21
Rot. Bonds8

About 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone

2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone (PubChem CID 1354983) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone
PubChem CID1354983
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone
SMILES[H]/N=c1\n(CCN(CC)CC)c2ccccc2n1CC(=O)c1cccs1
InChIInChI=1S/C19H24N4OS/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18/h5-10,13,20H,3-4,11-12,14H2,1-2H3/b20-19+
InChIKeyUCXRCKOZRORETI-FMQUCBEESA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-imino-3-propyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-(thiophen-2-yl)ethanone
CID 743969
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-2,3-dihydro-1H-benzimidazol-1-yl)-1-(5-bromo-2-thienyl)ethanone hydrobromide
CID 2858900

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone (CID 1354983) is 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone is [H]/N=c1\n(CCN(CC)CC)c2ccccc2n1CC(=O)c1cccs1.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone?
The InChIKey is UCXRCKOZRORETI-FMQUCBEESA-N. The full InChI is InChI=1S/C19H24N4OS/c1-3-21(4-2)11-12-22-15-8-5-6-9-16(15)23(19(22)20)14-17(24)18-10-7-13-25-18/h5-10,13,20H,3-4,11-12,14H2,1-2H3/b20-19+.
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone?
2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone has a molecular weight of 356.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 1354983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).