1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride

C24H25ClFN3O2 — CID 138961359

IUPAC1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
SMILESCl.Cn1ccnc1C(NCC(O)COc1ccc2ccccc2c1)c1cccc(F)c1
InChIInChI=1S/C24H24FN3O2.ClH/c1-28-12-11-26-24(28)23(19-7-4-8-20(25)13-19)27-15-21(29)16-30-22-10-9-17-5-2-3-6-18(17)14-22;/h2-14,21,23,27,29H,15-16H2,1H3;1H
InChIKeyJZKVTNUFEJTISN-UHFFFAOYSA-N
MW441.93 g/mol
LogP4.25
Rot. Bonds8

About 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride

1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride (PubChem CID 138961359) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
PubChem CID138961359
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC Name1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
SMILESCl.Cn1ccnc1C(NCC(O)COc1ccc2ccccc2c1)c1cccc(F)c1
InChIInChI=1S/C24H24FN3O2.ClH/c1-28-12-11-26-24(28)23(19-7-4-8-20(25)13-19)27-15-21(29)16-30-22-10-9-17-5-2-3-6-18(17)14-22;/h2-14,21,23,27,29H,15-16H2,1H3;1H
InChIKeyJZKVTNUFEJTISN-UHFFFAOYSA-N
XLogP4.25
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.93
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenoxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
CID 138961277
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138961351
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 110022496
1-[(4-chlorophenyl)methoxy]-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
CID 138961365
1-(4-ethylphenoxy)-3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol;hydrochloride
CID 138959248
1-(2-tert-butyl-4-methylphenoxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 138961354
1-(4-fluorophenyl)-2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 110883509
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
1-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959186
(1R)-1-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 94193697
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride (CID 138961359) is 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride is Cl.Cn1ccnc1C(NCC(O)COc1ccc2ccccc2c1)c1cccc(F)c1.
What is the InChIKey of 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is JZKVTNUFEJTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2.ClH/c1-28-12-11-26-24(28)23(19-7-4-8-20(25)13-19)27-15-21(29)16-30-22-10-9-17-5-2-3-6-18(17)14-22;/h2-14,21,23,27,29H,15-16H2,1H3;1H.
What are the key properties of 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride?
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 441.93 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 138961359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).