5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one

C19H26N4OS — CID 43818893

IUPAC5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCN(C)CCN(Cc1ccc2c(c1)n(C)c(=O)n2C)Cc1cccs1
InChIInChI=1S/C19H26N4OS/c1-20(2)9-10-23(14-16-6-5-11-25-16)13-15-7-8-17-18(12-15)22(4)19(24)21(17)3/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyGXYJBXAFINPDPY-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.50
Rot. Bonds7

About 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 43818893) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID43818893
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCN(C)CCN(Cc1ccc2c(c1)n(C)c(=O)n2C)Cc1cccs1
InChIInChI=1S/C19H26N4OS/c1-20(2)9-10-23(14-16-6-5-11-25-16)13-15-7-8-17-18(12-15)22(4)19(24)21(17)3/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyGXYJBXAFINPDPY-UHFFFAOYSA-N
XLogP2.50
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one (CID 43818893) is 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one is CN(C)CCN(Cc1ccc2c(c1)n(C)c(=O)n2C)Cc1cccs1.
What is the InChIKey of 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is GXYJBXAFINPDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-20(2)9-10-23(14-16-6-5-11-25-16)13-15-7-8-17-18(12-15)22(4)19(24)21(17)3/h5-8,11-12H,9-10,13-14H2,1-4H3.
What are the key properties of 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 358.51 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 43818893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).