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

C20H23N3O2 — CID 110437898

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1C(C)(C)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O2/c1-20(2,14-8-4-7-11-17(14)25-3)19(24)21-13-12-18-22-15-9-5-6-10-16(15)23-18/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySYBSONCUKKHGQU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.21
Rot. Bonds6

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 110437898) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID110437898
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1C(C)(C)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O2/c1-20(2,14-8-4-7-11-17(14)25-3)19(24)21-13-12-18-22-15-9-5-6-10-16(15)23-18/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySYBSONCUKKHGQU-UHFFFAOYSA-N
XLogP3.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)-2-methylpropanamide
CID 59018304
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
CID 48592900
N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437890
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42919415
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1083517
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide (CID 110437898) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide is COc1ccccc1C(C)(C)C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is SYBSONCUKKHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2,14-8-4-7-11-17(14)25-3)19(24)21-13-12-18-22-15-9-5-6-10-16(15)23-18/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 3.21, 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-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110437898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).