4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

C17H24F3N5O3 — CID 155826506

IUPAC4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCCOCC1c2c(ncn2C)CCN1Cc1nccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N5O.C2HF3O2/c1-4-21-10-13-15-12(17-11-19(15)3)5-7-20(13)9-14-16-6-8-18(14)2;3-2(4,5)1(6)7/h6,8,11,13H,4-5,7,9-10H2,1-3H3;(H,6,7)
InChIKeySAOUJWHTLMEKDN-UHFFFAOYSA-N
MW403.41 g/mol
LogP1.92
Rot. Bonds5

About 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155826506) has the molecular formula C17H24F3N5O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155826506
Molecular FormulaC17H24F3N5O3
Molecular Weight403.41 g/mol
Exact Mass403.18
IUPAC Name4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCCOCC1c2c(ncn2C)CCN1Cc1nccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N5O.C2HF3O2/c1-4-21-10-13-15-12(17-11-19(15)3)5-7-20(13)9-14-16-6-8-18(14)2;3-2(4,5)1(6)7/h6,8,11,13H,4-5,7,9-10H2,1-3H3;(H,6,7)
InChIKeySAOUJWHTLMEKDN-UHFFFAOYSA-N
XLogP1.92
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (CID 155826506) is 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is CCOCC1c2c(ncn2C)CCN1Cc1nccn1C.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is SAOUJWHTLMEKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.C2HF3O2/c1-4-21-10-13-15-12(17-11-19(15)3)5-7-20(13)9-14-16-6-8-18(14)2;3-2(4,5)1(6)7/h6,8,11,13H,4-5,7,9-10H2,1-3H3;(H,6,7).
What are the key properties of 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 403.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3-methyl-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).