2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide

C19H18ClN3O3 — CID 47826024

IUPAC2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C19H18ClN3O3/c20-12-3-6-14(7-4-12)26-11-18(24)21-13-5-8-15-16(10-13)23-19(22-15)17-2-1-9-25-17/h3-8,10,17H,1-2,9,11H2,(H,21,24)(H,22,23)
InChIKeyZGSCACJUHRLION-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.09
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 47826024) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
PubChem CID47826024
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C19H18ClN3O3/c20-12-3-6-14(7-4-12)26-11-18(24)21-13-5-8-15-16(10-13)23-19(22-15)17-2-1-9-25-17/h3-8,10,17H,1-2,9,11H2,(H,21,24)(H,22,23)
InChIKeyZGSCACJUHRLION-UHFFFAOYSA-N
XLogP4.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754121
2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
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-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
CID 47825987
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
3-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825850
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide (CID 47826024) is 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(C3CCCO3)[nH]c2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is ZGSCACJUHRLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-12-3-6-14(7-4-12)26-11-18(24)21-13-5-8-15-16(10-13)23-19(22-15)17-2-1-9-25-17/h3-8,10,17H,1-2,9,11H2,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 371.82 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 47826024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).