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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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).