(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol

C18H24ClN3O — CID 96574228

IUPAC(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol
SMILESO[C@H](CN1CCCCCC1)Cn1ccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O/c19-16-7-5-15(6-8-16)18-20-9-12-22(18)14-17(23)13-21-10-3-1-2-4-11-21/h5-9,12,17,23H,1-4,10-11,13-14H2/t17-/m1/s1
InChIKeyUWVFRPSRSZJJGP-QGZVFWFLSA-N
MW333.86 g/mol
LogP3.44
Rot. Bonds5

About (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol

(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol (PubChem CID 96574228) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol
PubChem CID96574228
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol
SMILESO[C@H](CN1CCCCCC1)Cn1ccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClN3O/c19-16-7-5-15(6-8-16)18-20-9-12-22(18)14-17(23)13-21-10-3-1-2-4-11-21/h5-9,12,17,23H,1-4,10-11,13-14H2/t17-/m1/s1
InChIKeyUWVFRPSRSZJJGP-QGZVFWFLSA-N
XLogP3.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560779
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
4-[1-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]imidazol-2-yl]phenol
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1-(2-phenylimidazol-1-yl)butan-2-ol
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1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
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1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
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1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
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(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
CID 3709634
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol (CID 96574228) is (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol is O[C@H](CN1CCCCCC1)Cn1ccnc1-c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol?
The InChIKey is UWVFRPSRSZJJGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24ClN3O/c19-16-7-5-15(6-8-16)18-20-9-12-22(18)14-17(23)13-21-10-3-1-2-4-11-21/h5-9,12,17,23H,1-4,10-11,13-14H2/t17-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol?
(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol has a molecular weight of 333.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 96574228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).