N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide

C22H18ClN3O2 — CID 1260058

IUPACN-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H18ClN3O2/c23-17-10-4-7-13-20(17)28-15-14-26-19-12-6-5-11-18(19)24-22(26)25-21(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25,27)
InChIKeyGPAQHSDAFUKXGN-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.02
Rot. Bonds6

About N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide

N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 1260058) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide
PubChem CID1260058
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H18ClN3O2/c23-17-10-4-7-13-20(17)28-15-14-26-19-12-6-5-11-18(19)24-22(26)25-21(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25,27)
InChIKeyGPAQHSDAFUKXGN-UHFFFAOYSA-N
XLogP5.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
2-((4-chlorophenoxy)methyl)-1-phenethyl-1H-benzo[d]imidazole
CID 1260808
2-((1E)-2-{1-[(2-chlorophenyl)methyl]benzimidazol-2-yl}vinyl)furan
CID 6082354
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyramide
CID 21188674
2-(3-chlorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24779894
2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide
CID 25192354
N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide
CID 649567
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
CID 1034468
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-4-fluoroaniline
CID 1260049
N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 1294201

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide (CID 1260058) is N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is GPAQHSDAFUKXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-17-10-4-7-13-20(17)28-15-14-26-19-12-6-5-11-18(19)24-22(26)25-21(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25,27).
What are the key properties of N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide?
N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 391.86 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 1260058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).