2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide

C15H21N3O — CID 751106

IUPAC2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-10(16-14(19)15(2,3)4)13-17-11-8-6-7-9-12(11)18(13)5/h6-10H,1-5H3,(H,16,19)/t10-/m0/s1
InChIKeyZRRLPKZFWHOOPR-JTQLQIEISA-N
MW259.35 g/mol
LogP2.80
Rot. Bonds2

About 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide

2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 751106) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID751106
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-10(16-14(19)15(2,3)4)13-17-11-8-6-7-9-12(11)18(13)5/h6-10H,1-5H3,(H,16,19)/t10-/m0/s1
InChIKeyZRRLPKZFWHOOPR-JTQLQIEISA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 119890012
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 103917265
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
tert-butyl 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]acetate
CID 81455314
2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide (CID 751106) is 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide is C[C@H](NC(=O)C(C)(C)C)c1nc2ccccc2n1C.
What is the InChIKey of 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is ZRRLPKZFWHOOPR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(16-14(19)15(2,3)4)13-17-11-8-6-7-9-12(11)18(13)5/h6-10H,1-5H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 751106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).