(S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol

C31H27N3O3S — CID 139044667

IUPAC(S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc([C@H](O)[C@H]3CN(c4ccccc4)C(c4ccccc4)=N3)c3ccccc32)cc1
InChIInChI=1S/C31H27N3O3S/c1-22-16-18-25(19-17-22)38(36,37)34-20-27(26-14-8-9-15-29(26)34)30(35)28-21-33(24-12-6-3-7-13-24)31(32-28)23-10-4-2-5-11-23/h2-20,28,30,35H,21H2,1H3/t28-,30+/m1/s1
InChIKeyRZTVPXXRFHZWMV-DGPALRBDSA-N
MW521.64 g/mol
LogP5.56
Rot. Bonds6

About (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol

(S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol (PubChem CID 139044667) has the molecular formula C31H27N3O3S and a molecular weight of 521.64 g/mol. Its IUPAC name is (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol.

Molecular Properties

Compound Name(S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol
PubChem CID139044667
Molecular FormulaC31H27N3O3S
Molecular Weight521.64 g/mol
Exact Mass521.18
IUPAC Name(S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc([C@H](O)[C@H]3CN(c4ccccc4)C(c4ccccc4)=N3)c3ccccc32)cc1
InChIInChI=1S/C31H27N3O3S/c1-22-16-18-25(19-17-22)38(36,37)34-20-27(26-14-8-9-15-29(26)34)30(35)28-21-33(24-12-6-3-7-13-24)31(32-28)23-10-4-2-5-11-23/h2-20,28,30,35H,21H2,1H3/t28-,30+/m1/s1
InChIKeyRZTVPXXRFHZWMV-DGPALRBDSA-N
XLogP5.56
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.64
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol with MolForge

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Related Compounds

N-[1-(4-methylphenyl)azetidin-3-yl]-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855815
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CID 11153480
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
1-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]pyrrolidin-3-ol
CID 22091407
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CID 101221610
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-4-phenylbutanenitrile
CID 162417672
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
(2S)-2-[(R)-[1-(benzenesulfonyl)indol-3-yl]-hydroxymethyl]cycloheptan-1-one
CID 102109922

Frequently Asked Questions

What is the IUPAC name of (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
The IUPAC name of (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol (CID 139044667) is (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol.
What is the SMILES notation for (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
The canonical SMILES for (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol is Cc1ccc(S(=O)(=O)n2cc([C@H](O)[C@H]3CN(c4ccccc4)C(c4ccccc4)=N3)c3ccccc32)cc1.
What is the InChIKey of (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
The InChIKey is RZTVPXXRFHZWMV-DGPALRBDSA-N. The full InChI is InChI=1S/C31H27N3O3S/c1-22-16-18-25(19-17-22)38(36,37)34-20-27(26-14-8-9-15-29(26)34)30(35)28-21-33(24-12-6-3-7-13-24)31(32-28)23-10-4-2-5-11-23/h2-20,28,30,35H,21H2,1H3/t28-,30+/m1/s1.
What are the key properties of (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
(S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol has a molecular weight of 521.64 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(4R)-1,2-diphenyl-4,5-dihydroimidazol-4-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol is sourced from PubChem (CID 139044667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).