2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide

C24H20ClN3O2 — CID 16976181

IUPAC2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H20ClN3O2/c25-19-11-5-4-10-18(19)24(30)26-15-14-23-27-20-12-6-7-13-21(20)28(23)16-22(29)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,26,30)
InChIKeyYANCCZCWONENIE-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.55
Rot. Bonds7

About 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide

2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16976181) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16976181
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H20ClN3O2/c25-19-11-5-4-10-18(19)24(30)26-15-14-23-27-20-12-6-7-13-21(20)28(23)16-22(29)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,26,30)
InChIKeyYANCCZCWONENIE-UHFFFAOYSA-N
XLogP4.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
CID 16982819
2-chloro-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976029
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
2-chloro-N-[2-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030755
2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976156
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763
2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
2-chloro-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982697
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide (CID 16976181) is 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide is O=C(Cn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is YANCCZCWONENIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-11-5-4-10-18(19)24(30)26-15-14-23-27-20-12-6-7-13-21(20)28(23)16-22(29)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,26,30).
What are the key properties of 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide?
2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 417.90 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16976181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).