N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide

C16H13Cl2N3O2 — CID 59018424

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H13Cl2N3O2/c17-10-4-3-7-13(16(10)18)23-9-15(22)19-8-14-20-11-5-1-2-6-12(11)21-14/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyJYSDMICMKOCLQW-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.56
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide (PubChem CID 59018424) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
PubChem CID59018424
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H13Cl2N3O2/c17-10-4-3-7-13(16(10)18)23-9-15(22)19-8-14-20-11-5-1-2-6-12(11)21-14/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyJYSDMICMKOCLQW-UHFFFAOYSA-N
XLogP3.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
CID 78769748
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-(1H-benzimidazol-2-ylmethyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 112791121
N-(1H-benzimidazol-2-ylmethyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 112791105
ethyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 21008849
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
propan-2-yl 4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 21008850
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide (CID 59018424) is N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1Cl)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide?
The InChIKey is JYSDMICMKOCLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c17-10-4-3-7-13(16(10)18)23-9-15(22)19-8-14-20-11-5-1-2-6-12(11)21-14/h1-7H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide is sourced from PubChem (CID 59018424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).