1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

C18H25FN4O2 — CID 166435620

IUPAC1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCn1ccnc1C(NCC(O)CN1CCOCC1)c1ccccc1F
InChIInChI=1S/C18H25FN4O2/c1-22-7-6-20-18(22)17(15-4-2-3-5-16(15)19)21-12-14(24)13-23-8-10-25-11-9-23/h2-7,14,17,21,24H,8-13H2,1H3
InChIKeyXAMKLEOKINUNDD-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.93
Rot. Bonds7

About 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 166435620) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID166435620
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCn1ccnc1C(NCC(O)CN1CCOCC1)c1ccccc1F
InChIInChI=1S/C18H25FN4O2/c1-22-7-6-20-18(22)17(15-4-2-3-5-16(15)19)21-12-14(24)13-23-8-10-25-11-9-23/h2-7,14,17,21,24H,8-13H2,1H3
InChIKeyXAMKLEOKINUNDD-UHFFFAOYSA-N
XLogP0.93
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 35852455
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CID 42923197
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CID 92854436
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CID 34164693
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
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CID 46528242
2-(3,4-dichlorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25346268
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
(2R)-1-morpholin-4-yl-3-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propan-2-ol
CID 98772196
2-(2-fluorophenoxy)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25352041
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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 166435620) is 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is Cn1ccnc1C(NCC(O)CN1CCOCC1)c1ccccc1F.
What is the InChIKey of 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XAMKLEOKINUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-22-7-6-20-18(22)17(15-4-2-3-5-16(15)19)21-12-14(24)13-23-8-10-25-11-9-23/h2-7,14,17,21,24H,8-13H2,1H3.
What are the key properties of 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 348.42 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 166435620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).