(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol

C14H17ClN2O — CID 155289364

IUPAC(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
SMILESC[C@H](O)c1nccn1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1
InChIKeyGGDYLOWWOJETKU-NSHDSACASA-N
MW264.76 g/mol
LogP3.22
Rot. Bonds5

About (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol

(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol (PubChem CID 155289364) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
PubChem CID155289364
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
SMILESC[C@H](O)c1nccn1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1
InChIKeyGGDYLOWWOJETKU-NSHDSACASA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol
CID 142479711
1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2,2-trifluoroethanol
CID 135388186
N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride
CID 19429502
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637
(2Z)-2-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2-hydroxyiminoacetic acid
CID 137315757
3-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-3-hydroxyoxiran-2-one
CID 142479484
1-[2-(4-chlorophenyl)ethyl]imidazole-2-carboxylic acid
CID 69295233
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
CID 43519618
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-butyl-2-propan-2-ylimidazole
CID 11506521
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 71917642

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol (CID 155289364) is (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol is C[C@H](O)c1nccn1CCCc1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol?
The InChIKey is GGDYLOWWOJETKU-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol?
(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol has a molecular weight of 264.76 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 155289364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).