[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone

C27H31FN4O — CID 68985061

IUPAC[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
SMILESO=C(c1ncn([C@H]2CCCC[C@H]2F)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C27H31FN4O/c28-23-13-7-8-14-24(23)32-19-30-25(26(32)21-11-5-2-6-12-21)27(33)31-16-15-29-18-22(31)17-20-9-3-1-4-10-20/h1-6,9-12,19,22-24,29H,7-8,13-18H2/t22-,23-,24+/m1/s1
InChIKeyINGPXQHVKPMTMH-SMIHKQSGSA-N
MW446.57 g/mol
LogP4.66
Rot. Bonds5

About [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone

[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone (PubChem CID 68985061) has the molecular formula C27H31FN4O and a molecular weight of 446.57 g/mol. Its IUPAC name is [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
PubChem CID68985061
Molecular FormulaC27H31FN4O
Molecular Weight446.57 g/mol
Exact Mass446.25
IUPAC Name[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
SMILESO=C(c1ncn([C@H]2CCCC[C@H]2F)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C27H31FN4O/c28-23-13-7-8-14-24(23)32-19-30-25(26(32)21-11-5-2-6-12-21)27(33)31-16-15-29-18-22(31)17-20-9-3-1-4-10-20/h1-6,9-12,19,22-24,29H,7-8,13-18H2/t22-,23-,24+/m1/s1
InChIKeyINGPXQHVKPMTMH-SMIHKQSGSA-N
XLogP4.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
[1-[(1S,2R)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]-[(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 68986785
(2-benzylpiperazin-1-yl)-[5-(3,5-difluorophenyl)-1-[(1S,2R)-2-hydroxycyclohexyl]imidazol-4-yl]methanone
CID 69174907
2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 69174482
(2R)-2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 68990940
[(2R)-2-benzylpiperazin-1-yl]-[5-phenyl-1-[(1S,2S)-2-prop-2-enoxycyclohexyl]imidazol-4-yl]methanone
CID 68990733
[2-[4-[(2S)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexyl] N-methylcarbamate
CID 90966634
[(1S,2S)-2-[5-phenyl-4-[(2R)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]imidazol-1-yl]cyclohexyl]carbamic acid
CID 68986562
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2S)-2-(3-methoxypropoxy)cycloheptyl]-5-phenylimidazol-4-yl]methanone
CID 68987017
[(1S,2S)-2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cycloheptyl]-(furan-2-ylmethyl)carbamic acid
CID 68988955
[(2R)-2-benzylpiperazin-1-yl]-[1-[2-(cyclobutyloxymethyl)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68989321
[(2R)-2-benzylpiperazin-1-yl]-[5-phenyl-1-[(2R)-2-[2-(1,3-thiazol-2-yl)propan-2-yloxymethyl]cyclohexyl]imidazol-4-yl]methanone
CID 70280086

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone?
The IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone (CID 68985061) is [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone is O=C(c1ncn([C@H]2CCCC[C@H]2F)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone?
The InChIKey is INGPXQHVKPMTMH-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H31FN4O/c28-23-13-7-8-14-24(23)32-19-30-25(26(32)21-11-5-2-6-12-21)27(33)31-16-15-29-18-22(31)17-20-9-3-1-4-10-20/h1-6,9-12,19,22-24,29H,7-8,13-18H2/t22-,23-,24+/m1/s1.
What are the key properties of [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone?
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone has a molecular weight of 446.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone is sourced from PubChem (CID 68985061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).