N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide

C22H18ClN3O3 — CID 17093159

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O3/c1-28-20-11-6-14(22-25-17-4-2-3-5-18(17)26-22)12-19(20)24-21(27)13-29-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyRZACXNWJWKHSQK-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.91
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 17093159) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
PubChem CID17093159
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O3/c1-28-20-11-6-14(22-25-17-4-2-3-5-18(17)26-22)12-19(20)24-21(27)13-29-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyRZACXNWJWKHSQK-UHFFFAOYSA-N
XLogP4.91
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
(E)-N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17093112
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 17092966
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 166180424
2-(4-chlorophenoxy)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 7187733
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide (CID 17093159) is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide is COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is RZACXNWJWKHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-28-20-11-6-14(22-25-17-4-2-3-5-18(17)26-22)12-19(20)24-21(27)13-29-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide?
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 407.86 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 17093159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).