cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol

C16H19ClN2O — CID 67648052

IUPACcis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@]1(Cc2ccc(Cl)cc2)CCC[C@@H]1Cn1ccnc1
InChIInChI=1S/C16H19ClN2O/c17-15-5-3-13(4-6-15)10-16(20)7-1-2-14(16)11-19-9-8-18-12-19/h3-6,8-9,12,14,20H,1-2,7,10-11H2/t14-,16-/m1/s1
InChIKeyDNPOMKWOHTXMNI-GDBMZVCRSA-N
MW290.79 g/mol
LogP3.31
Rot. Bonds4

About cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol

cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 67648052) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID67648052
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Namecis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@]1(Cc2ccc(Cl)cc2)CCC[C@@H]1Cn1ccnc1
InChIInChI=1S/C16H19ClN2O/c17-15-5-3-13(4-6-15)10-16(20)7-1-2-14(16)11-19-9-8-18-12-19/h3-6,8-9,12,14,20H,1-2,7,10-11H2/t14-,16-/m1/s1
InChIKeyDNPOMKWOHTXMNI-GDBMZVCRSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-1-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 101127194
1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518875
1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
CID 54148970
2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 139663353
[(Z)-[(2R)-2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate
CID 6927345
1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dithian-2-yl]methyl]imidazole
CID 13084411
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914346
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 67648052) is cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@]1(Cc2ccc(Cl)cc2)CCC[C@@H]1Cn1ccnc1.
What is the InChIKey of cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is DNPOMKWOHTXMNI-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-15-5-3-13(4-6-15)10-16(20)7-1-2-14(16)11-19-9-8-18-12-19/h3-6,8-9,12,14,20H,1-2,7,10-11H2/t14-,16-/m1/s1.
What are the key properties of cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol?
cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 67648052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).