N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C24H22ClN3O3 — CID 55380856

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O3/c1-15(23-27-19-5-3-4-6-20(19)28-23)26-24(29)17-9-12-21(22(13-17)30-2)31-14-16-7-10-18(25)11-8-16/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUMEHNSRDLLFKRC-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.29
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 55380856) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID55380856
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O3/c1-15(23-27-19-5-3-4-6-20(19)28-23)26-24(29)17-9-12-21(22(13-17)30-2)31-14-16-7-10-18(25)11-8-16/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUMEHNSRDLLFKRC-UHFFFAOYSA-N
XLogP5.29
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 4227842
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
CID 55380926
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 55380856) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)NC(C)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is UMEHNSRDLLFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-15(23-27-19-5-3-4-6-20(19)28-23)26-24(29)17-9-12-21(22(13-17)30-2)31-14-16-7-10-18(25)11-8-16/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 435.91 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 55380856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).