2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine

C18H16F2IN3O2 — CID 118141898

IUPAC2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(Cn2ccnc2)c(I)cc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C18H16F2IN3O2/c1-25-16-6-13(9-24-5-4-22-11-24)14(21)7-17(16)26-10-12-2-3-15(18(19)20)23-8-12/h2-8,11,18H,9-10H2,1H3
InChIKeyHLYHWQUODQDWPM-UHFFFAOYSA-N
MW471.25 g/mol
LogP4.46
Rot. Bonds7

About 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine

2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine (PubChem CID 118141898) has the molecular formula C18H16F2IN3O2 and a molecular weight of 471.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
PubChem CID118141898
Molecular FormulaC18H16F2IN3O2
Molecular Weight471.25 g/mol
Exact Mass471.03
IUPAC Name2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(Cn2ccnc2)c(I)cc1OCc1ccc(C(F)F)nc1
InChIInChI=1S/C18H16F2IN3O2/c1-25-16-6-13(9-24-5-4-22-11-24)14(21)7-17(16)26-10-12-2-3-15(18(19)20)23-8-12/h2-8,11,18H,9-10H2,1H3
InChIKeyHLYHWQUODQDWPM-UHFFFAOYSA-N
XLogP4.46
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-5-[(2-methoxyphenoxy)methyl]pyridine;N-methylmethanamine
CID 158118535
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
4-[3-[[4-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-3-methoxyphenyl]methyl]imidazo[4,5-b]pyridin-6-yl]but-3-yn-1-ol
CID 118009845
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
1-[(2-phenylmethoxyphenyl)methyl]imidazole
CID 12903383
bis[4-(imidazol-1-ylmethyl)-3-methoxyphenyl]methanone
CID 57036756
1-[[2-fluoro-5-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-5-iodobenzimidazole
CID 118114013
1-(3-bromophenyl)-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]methanamine
CID 20956367
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
CID 90921547
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
1-(2,2-dimethoxyethyl)-2-iodo-5-methoxy-4-phenylmethoxybenzene
CID 15240745

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
The IUPAC name of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine (CID 118141898) is 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
The canonical SMILES for 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine is COc1cc(Cn2ccnc2)c(I)cc1OCc1ccc(C(F)F)nc1.
What is the InChIKey of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
The InChIKey is HLYHWQUODQDWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2IN3O2/c1-25-16-6-13(9-24-5-4-22-11-24)14(21)7-17(16)26-10-12-2-3-15(18(19)20)23-8-12/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine?
2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine has a molecular weight of 471.25 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[[4-(imidazol-1-ylmethyl)-5-iodo-2-methoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 118141898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).