2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine

C29H28FN5O — CID 44545937

IUPAC2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCN(C)C)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C29H28FN5O/c1-19-6-4-8-25(32-19)29-28(22-10-12-24-21(18-22)7-5-13-31-24)33-27(34-29)17-20-9-11-23(30)26(16-20)36-15-14-35(2)3/h4-13,16,18H,14-15,17H2,1-3H3,(H,33,34)
InChIKeyHVPVJQMSTXTZLD-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.67
Rot. Bonds8

About 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine

2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 44545937) has the molecular formula C29H28FN5O and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine
PubChem CID44545937
Molecular FormulaC29H28FN5O
Molecular Weight481.58 g/mol
Exact Mass481.23
IUPAC Name2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCN(C)C)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C29H28FN5O/c1-19-6-4-8-25(32-19)29-28(22-10-12-24-21(18-22)7-5-13-31-24)33-27(34-29)17-20-9-11-23(30)26(16-20)36-15-14-35(2)3/h4-13,16,18H,14-15,17H2,1-3H3,(H,33,34)
InChIKeyHVPVJQMSTXTZLD-UHFFFAOYSA-N
XLogP5.67
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine (CID 44545937) is 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(OCCN(C)C)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is HVPVJQMSTXTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-19-6-4-8-25(32-19)29-28(22-10-12-24-21(18-22)7-5-13-31-24)33-27(34-29)17-20-9-11-23(30)26(16-20)36-15-14-35(2)3/h4-13,16,18H,14-15,17H2,1-3H3,(H,33,34).
What are the key properties of 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine?
2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 481.58 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 44545937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).