[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

C20H28N4O2 — CID 70716912

IUPAC[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C20H28N4O2/c25-15-19-14-23(13-18(19)12-22-7-9-26-10-8-22)11-17-1-3-20(4-2-17)24-6-5-21-16-24/h1-6,16,18-19,25H,7-15H2/t18-,19-/m1/s1
InChIKeyPCWKWAFKQCFNEP-RTBURBONSA-N
MW356.47 g/mol
LogP1.24
Rot. Bonds6

About [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70716912) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70716912
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C20H28N4O2/c25-15-19-14-23(13-18(19)12-22-7-9-26-10-8-22)11-17-1-3-20(4-2-17)24-6-5-21-16-24/h1-6,16,18-19,25H,7-15H2/t18-,19-/m1/s1
InChIKeyPCWKWAFKQCFNEP-RTBURBONSA-N
XLogP1.24
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-4-(morpholin-4-ylmethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methanol
CID 133131528
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
1-[[(3R,4R)-1-(furan-3-ylmethyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 72863464
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
4-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]morpholine-2-carbonyl]piperazin-2-one
CID 95880747
[(3R,4S)-1-(2,2-diphenylethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70724913
(1S,5S)-7-[(4-imidazol-1-ylphenyl)methyl]-9-pyrazin-2-yl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 137339827
[(3S,4R)-1-[(2-chloro-6-fluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133122079
[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 133132545
[(3S,4R)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124516
[(3S,4S)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133124802

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 70716912) is [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCOCC1.
What is the InChIKey of [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is PCWKWAFKQCFNEP-RTBURBONSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-15-19-14-23(13-18(19)12-22-7-9-26-10-8-22)11-17-1-3-20(4-2-17)24-6-5-21-16-24/h1-6,16,18-19,25H,7-15H2/t18-,19-/m1/s1.
What are the key properties of [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70716912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).