2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide

C19H17Cl2N3O3 — CID 52754121

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1
InChIInChI=1S/C19H17Cl2N3O3/c20-11-3-6-16(13(21)8-11)27-10-18(25)22-12-4-5-14-15(9-12)24-19(23-14)17-2-1-7-26-17/h3-6,8-9,17H,1-2,7,10H2,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyIDTUFPZKNRRKCO-QGZVFWFLSA-N
MW406.27 g/mol
LogP4.74
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 52754121) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
PubChem CID52754121
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1
InChIInChI=1S/C19H17Cl2N3O3/c20-11-3-6-16(13(21)8-11)27-10-18(25)22-12-4-5-14-15(9-12)24-19(23-14)17-2-1-7-26-17/h3-6,8-9,17H,1-2,7,10H2,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyIDTUFPZKNRRKCO-QGZVFWFLSA-N
XLogP4.74
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120
2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47826024
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
3-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825850
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
N-(9-chloro-5,6,7,8-tetrahydroacridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 5130019
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide (CID 52754121) is 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide?
The InChIKey is IDTUFPZKNRRKCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c20-11-3-6-16(13(21)8-11)27-10-18(25)22-12-4-5-14-15(9-12)24-19(23-14)17-2-1-7-26-17/h3-6,8-9,17H,1-2,7,10H2,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 406.27 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 52754121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).