2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C18H19ClFN3O2 — CID 46987557

IUPAC2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1ccc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C18H19ClFN3O2/c1-22-7-6-21-18(22)12-23(8-9-24)11-14-3-5-17(25-14)15-4-2-13(19)10-16(15)20/h2-7,10,24H,8-9,11-12H2,1H3
InChIKeyMHAMFKBHRSDKIW-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.47
Rot. Bonds7

About 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 46987557) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID46987557
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1ccc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C18H19ClFN3O2/c1-22-7-6-21-18(22)12-23(8-9-24)11-14-3-5-17(25-14)15-4-2-13(19)10-16(15)20/h2-7,10,24H,8-9,11-12H2,1H3
InChIKeyMHAMFKBHRSDKIW-UHFFFAOYSA-N
XLogP3.47
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9972577
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CID 3068305
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CID 44567230
CID 44567230
CID 44567386
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CID 90682595
CID 90682595
CID 2909403
CID 2909403
CID 10399067
CID 10399067
CID 45818202
CID 45818202
CID 47030543
CID 47030543
CID 134145487
CID 134145487

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 46987557) is 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)Cc1ccc(-c2ccc(Cl)cc2F)o1.
What is the InChIKey of 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is MHAMFKBHRSDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-22-7-6-21-18(22)12-23(8-9-24)11-14-3-5-17(25-14)15-4-2-13(19)10-16(15)20/h2-7,10,24H,8-9,11-12H2,1H3.
What are the key properties of 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 363.82 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 46987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).