2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

C23H21ClN4O2S — CID 17030755

IUPAC2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)NCc1cccs1
InChIInChI=1S/C23H21ClN4O2S/c24-18-8-2-1-7-17(18)23(30)25-12-11-21-27-19-9-3-4-10-20(19)28(21)15-22(29)26-14-16-6-5-13-31-16/h1-10,13H,11-12,14-15H2,(H,25,30)(H,26,29)
InChIKeyXKQPCQCANUNMLV-UHFFFAOYSA-N
MW452.97 g/mol
LogP4.04
Rot. Bonds8

About 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030755) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030755
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC Name2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)NCc1cccs1
InChIInChI=1S/C23H21ClN4O2S/c24-18-8-2-1-7-17(18)23(30)25-12-11-21-27-19-9-3-4-10-20(19)28(21)15-22(29)26-14-16-6-5-13-31-16/h1-10,13H,11-12,14-15H2,(H,25,30)(H,26,29)
InChIKeyXKQPCQCANUNMLV-UHFFFAOYSA-N
XLogP4.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686
N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031245
2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
CID 16976181
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031147
3-methyl-N-[3-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031539
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763
2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
CID 16982819
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030755) is 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is O=C(Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)NCc1cccs1.
What is the InChIKey of 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is XKQPCQCANUNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c24-18-8-2-1-7-17(18)23(30)25-12-11-21-27-19-9-3-4-10-20(19)28(21)15-22(29)26-14-16-6-5-13-31-16/h1-10,13H,11-12,14-15H2,(H,25,30)(H,26,29).
What are the key properties of 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 452.97 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).