N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

C19H28FN5O — CID 135101772

IUPACN-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
SMILESCc1[nH]cnc1CN(CCN(C)C)C(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H28FN5O/c1-15-18(22-14-21-15)12-25(10-9-23(2)3)19(26)13-24(4)11-16-5-7-17(20)8-6-16/h5-8,14H,9-13H2,1-4H3,(H,21,22)
InChIKeyCDVVRCBOWXSBAN-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.88
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide (PubChem CID 135101772) has the molecular formula C19H28FN5O and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
PubChem CID135101772
Molecular FormulaC19H28FN5O
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
SMILESCc1[nH]cnc1CN(CCN(C)C)C(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H28FN5O/c1-15-18(22-14-21-15)12-25(10-9-23(2)3)19(26)13-24(4)11-16-5-7-17(20)8-6-16/h5-8,14H,9-13H2,1-4H3,(H,21,22)
InChIKeyCDVVRCBOWXSBAN-UHFFFAOYSA-N
XLogP1.88
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135097741
N-[2-(dimethylamino)ethyl]-4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135120852
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135112310
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135087620
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135098097
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylpropanamide
CID 135103279
N-[2-(dimethylamino)ethyl]-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135099471
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethoxy)benzamide
CID 135101944
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135105751
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 135102045
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
CID 135102264

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide (CID 135101772) is N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide is Cc1[nH]cnc1CN(CCN(C)C)C(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The InChIKey is CDVVRCBOWXSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O/c1-15-18(22-14-21-15)12-25(10-9-23(2)3)19(26)13-24(4)11-16-5-7-17(20)8-6-16/h5-8,14H,9-13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methyl-methylamino]-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 135101772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).