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

C22H27N3O — CID 751348

IUPACN-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide
SMILESCCn1c([C@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-5-25-19-14-10-9-13-17(19)23-20(25)18(24-21(26)22(2,3)4)15-16-11-7-6-8-12-16/h6-14,18H,5,15H2,1-4H3,(H,24,26)/t18-/m0/s1
InChIKeyUSXKNLQNZQXTTQ-SFHVURJKSA-N
MW349.48 g/mol
LogP4.50
Rot. Bonds5

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

N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide (PubChem CID 751348) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide
PubChem CID751348
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide
SMILESCCn1c([C@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-5-25-19-14-10-9-13-17(19)23-20(25)18(24-21(26)22(2,3)4)15-16-11-7-6-8-12-16/h6-14,18H,5,15H2,1-4H3,(H,24,26)/t18-/m0/s1
InChIKeyUSXKNLQNZQXTTQ-SFHVURJKSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 4738031
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969456
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969455
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
2,2-dimethyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]propanamide
CID 16969497
N-[(1R)-2-phenyl-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025768

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide (CID 751348) is N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide is CCn1c([C@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
The InChIKey is USXKNLQNZQXTTQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-25-19-14-10-9-13-17(19)23-20(25)18(24-21(26)22(2,3)4)15-16-11-7-6-8-12-16/h6-14,18H,5,15H2,1-4H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide?
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 751348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).