N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide

C19H20ClN3O2 — CID 59018304

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccccc1Cl)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20ClN3O2/c1-19(2,25-16-10-6-3-7-13(16)20)18(24)21-12-11-17-22-14-8-4-5-9-15(14)23-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNLWNVFXYYSBZBW-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide (PubChem CID 59018304) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide
PubChem CID59018304
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccccc1Cl)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20ClN3O2/c1-19(2,25-16-10-6-3-7-13(16)20)18(24)21-12-11-17-22-14-8-4-5-9-15(14)23-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNLWNVFXYYSBZBW-UHFFFAOYSA-N
XLogP3.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437898
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
CID 48592900
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
CID 59018424
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide
CID 71829190
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide (CID 59018304) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccccc1Cl)C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide?
The InChIKey is NLWNVFXYYSBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-19(2,25-16-10-6-3-7-13(16)20)18(24)21-12-11-17-22-14-8-4-5-9-15(14)23-17/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide has a molecular weight of 357.84 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 59018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).