5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H26FN5 — CID 70774122

IUPAC5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1Cc1ccc(C)c(F)c1C
InChIInChI=1S/C21H26FN5/c1-4-9-26-11-8-23-21(26)20-19-17(24-13-25-19)7-10-27(20)12-16-6-5-14(2)18(22)15(16)3/h5-6,8,11,13,20H,4,7,9-10,12H2,1-3H3,(H,24,25)
InChIKeyXNRJSULNVAGUNU-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.92
Rot. Bonds5

About 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 70774122) has the molecular formula C21H26FN5 and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID70774122
Molecular FormulaC21H26FN5
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1Cc1ccc(C)c(F)c1C
InChIInChI=1S/C21H26FN5/c1-4-9-26-11-8-23-21(26)20-19-17(24-13-25-19)7-10-27(20)12-16-6-5-14(2)18(22)15(16)3/h5-6,8,11,13,20H,4,7,9-10,12H2,1-3H3,(H,24,25)
InChIKeyXNRJSULNVAGUNU-UHFFFAOYSA-N
XLogP3.92
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 70774122) is 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1ccnc1C1c2nc[nH]c2CCN1Cc1ccc(C)c(F)c1C.
What is the InChIKey of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XNRJSULNVAGUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5/c1-4-9-26-11-8-23-21(26)20-19-17(24-13-25-19)7-10-27(20)12-16-6-5-14(2)18(22)15(16)3/h5-6,8,11,13,20H,4,7,9-10,12H2,1-3H3,(H,24,25).
What are the key properties of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 367.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 70774122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).