N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide

C16H23N3O — CID 751289

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-5-19-13-9-7-6-8-12(13)18-14(19)10-11-17-15(20)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyRSLGSXUCGIRYFT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 751289) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID751289
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-5-19-13-9-7-6-8-12(13)18-14(19)10-11-17-15(20)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyRSLGSXUCGIRYFT-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 141169335
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
CID 4753648
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide (CID 751289) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide is CCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is RSLGSXUCGIRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19-13-9-7-6-8-12(13)18-14(19)10-11-17-15(20)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 751289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).