4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C19H29F6N3O5 — CID 118745787

IUPAC4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCCOCC1c2c(ncn2C(C)C)CCN1C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H27N3O.2C2HF3O2/c1-6-19-9-14-15-13(7-8-17(14)11(2)3)16-10-18(15)12(4)5;2*3-2(4,5)1(6)7/h10-12,14H,6-9H2,1-5H3;2*(H,6,7)
InChIKeyBHWZSWZQOUOEGE-UHFFFAOYSA-N
MW493.45 g/mol
LogP4.07
Rot. Bonds5

About 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745787) has the molecular formula C19H29F6N3O5 and a molecular weight of 493.45 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745787
Molecular FormulaC19H29F6N3O5
Molecular Weight493.45 g/mol
Exact Mass493.20
IUPAC Name4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCCOCC1c2c(ncn2C(C)C)CCN1C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H27N3O.2C2HF3O2/c1-6-19-9-14-15-13(7-8-17(14)11(2)3)16-10-18(15)12(4)5;2*3-2(4,5)1(6)7/h10-12,14H,6-9H2,1-5H3;2*(H,6,7)
InChIKeyBHWZSWZQOUOEGE-UHFFFAOYSA-N
XLogP4.07
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(ethoxymethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 118739066
cyclopropyl-[4-(ethoxymethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 118739079
4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118745788
ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
CID 118742997
1-(cyclopropylmethyl)-7-(methoxymethyl)-N,N-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 118743203
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
2-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746018
5-(2-ethoxyethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746703
1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746925
1-methyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 53568801
5-cyclobutyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824149
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

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118745787) is 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is CCOCC1c2c(ncn2C(C)C)CCN1C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BHWZSWZQOUOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.2C2HF3O2/c1-6-19-9-14-15-13(7-8-17(14)11(2)3)16-10-18(15)12(4)5;2*3-2(4,5)1(6)7/h10-12,14H,6-9H2,1-5H3;2*(H,6,7).
What are the key properties of 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 493.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).