3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid

C18H26N4O5 — CID 154905248

IUPAC3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
SMILESCc1cnc(C(C)NC(=O)c2cccc(CN(C)C)c2)[nH]1.O=CO.O=CO
InChIInChI=1S/C16H22N4O.2CH2O2/c1-11-9-17-15(18-11)12(2)19-16(21)14-7-5-6-13(8-14)10-20(3)4;2*2-1-3/h5-9,12H,10H2,1-4H3,(H,17,18)(H,19,21);2*1H,(H,2,3)
InChIKeyCEZHYSPWSHTGKX-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.67
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid

3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid (PubChem CID 154905248) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
PubChem CID154905248
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
SMILESCc1cnc(C(C)NC(=O)c2cccc(CN(C)C)c2)[nH]1.O=CO.O=CO
InChIInChI=1S/C16H22N4O.2CH2O2/c1-11-9-17-15(18-11)12(2)19-16(21)14-7-5-6-13(8-14)10-20(3)4;2*2-1-3/h5-9,12H,10H2,1-4H3,(H,17,18)(H,19,21);2*1H,(H,2,3)
InChIKeyCEZHYSPWSHTGKX-UHFFFAOYSA-N
XLogP1.67
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125442654
6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
CID 154906773
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125438716
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
(2S)-2-[[3-[(dimethylamino)methyl]benzoyl]amino]hexanoic acid
CID 120614154
3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111458155
2-(benzotriazol-2-yl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 125435660
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
CID 126431315
4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126450169
4-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-[(2-pyridin-4-ylsulfanylacetyl)amino]benzamide
CID 172662897
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid (CID 154905248) is 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid is Cc1cnc(C(C)NC(=O)c2cccc(CN(C)C)c2)[nH]1.O=CO.O=CO.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid?
The InChIKey is CEZHYSPWSHTGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2CH2O2/c1-11-9-17-15(18-11)12(2)19-16(21)14-7-5-6-13(8-14)10-20(3)4;2*2-1-3/h5-9,12H,10H2,1-4H3,(H,17,18)(H,19,21);2*1H,(H,2,3).
What are the key properties of 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid?
3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid has a molecular weight of 378.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid is sourced from PubChem (CID 154905248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).