N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide

C16H23N3O — CID 51096302

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCCn1c(CN(C)C(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-6-19-13-10-8-7-9-12(13)17-14(19)11-18(5)15(20)16(2,3)4/h7-10H,6,11H2,1-5H3
InChIKeySZCGWCBAQJPVRR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds3

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 51096302) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID51096302
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCCn1c(CN(C)C(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-6-19-13-10-8-7-9-12(13)17-14(19)11-18(5)15(20)16(2,3)4/h7-10H,6,11H2,1-5H3
InChIKeySZCGWCBAQJPVRR-UHFFFAOYSA-N
XLogP3.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 60597055
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
CID 51097095
(E)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 51096299
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 60597306
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide (CID 51096302) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide is CCn1c(CN(C)C(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is SZCGWCBAQJPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-19-13-10-8-7-9-12(13)17-14(19)11-18(5)15(20)16(2,3)4/h7-10H,6,11H2,1-5H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 273.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 51096302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).