2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone

C23H20N4OS — CID 53383485

IUPAC2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone
SMILESCc1nc2ccccc2n1C(C)c1nc2ccccc2n1CC(=O)c1ccsc1
InChIInChI=1S/C23H20N4OS/c1-15(27-16(2)24-19-8-4-6-10-21(19)27)23-25-18-7-3-5-9-20(18)26(23)13-22(28)17-11-12-29-14-17/h3-12,14-15H,13H2,1-2H3
InChIKeyCOJQONCIDJYRCY-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.25
Rot. Bonds5

About 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone

2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone (PubChem CID 53383485) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone
PubChem CID53383485
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone
SMILESCc1nc2ccccc2n1C(C)c1nc2ccccc2n1CC(=O)c1ccsc1
InChIInChI=1S/C23H20N4OS/c1-15(27-16(2)24-19-8-4-6-10-21(19)27)23-25-18-7-3-5-9-20(18)26(23)13-22(28)17-11-12-29-14-17/h3-12,14-15H,13H2,1-2H3
InChIKeyCOJQONCIDJYRCY-UHFFFAOYSA-N
XLogP5.25
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 652748
Methanone, [5-(1-methyl-1H-benzimidazol-2-yl)-2-thienyl]phenyl-
CID 874018
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)thiophene-2-carboxamide
CID 1507925
[4-(1-Isopropyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 651028
N-[2-(1-propyl-1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
5-(1-Methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde
CID 874047
N-[2-(1-butyl-1H-1,3-benzodiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 2976138
3-[2-[2-[2,5-Dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile
CID 2998968
N-[(1-pentylbenzimidazol-2-yl)methyl]-2-thienylcarboxamide
CID 3237449
N-[1-(1-butyl-1H-benzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
N-[3-(1-pentylbenzimidazol-2-yl)propyl]-2-thienylcarboxamide
CID 3999689
Thiophene-2-carboxylic acid (1-methyl-2-pyrrolidin-1-ylmethyl-1H-benzoimidazol-5-yl)-amide
CID 9550074

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone?
The IUPAC name of 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone (CID 53383485) is 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone?
The canonical SMILES for 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone is Cc1nc2ccccc2n1C(C)c1nc2ccccc2n1CC(=O)c1ccsc1.
What is the InChIKey of 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone?
The InChIKey is COJQONCIDJYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-15(27-16(2)24-19-8-4-6-10-21(19)27)23-25-18-7-3-5-9-20(18)26(23)13-22(28)17-11-12-29-14-17/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone?
2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone has a molecular weight of 400.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methylbenzimidazol-1-yl)ethyl]benzimidazol-1-yl]-1-thiophen-3-ylethanone is sourced from PubChem (CID 53383485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).