(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate

C18H15N2O2S- — CID 6919625

IUPAC(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
SMILESC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-]
InChIInChI=1S/C18H16N2O2S/c1-12(17(21)22)23-18-19-15(13-8-4-2-5-9-13)16(20-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1
InChIKeyMFJVYXLNZAGCGM-LBPRGKRZSA-M
MW323.40 g/mol
LogP2.97
Rot. Bonds5

About (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate

(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate (PubChem CID 6919625) has the molecular formula C18H15N2O2S- and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Name(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
PubChem CID6919625
Molecular FormulaC18H15N2O2S-
Molecular Weight323.40 g/mol
Exact Mass323.09
IUPAC Name(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
SMILESC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-]
InChIInChI=1S/C18H16N2O2S/c1-12(17(21)22)23-18-19-15(13-8-4-2-5-9-13)16(20-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1
InChIKeyMFJVYXLNZAGCGM-LBPRGKRZSA-M
XLogP2.97
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9457048
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentane-2,4-dione
CID 13238082
4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23970510
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25046340
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23858757
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 9267993
N-[(E)-benzylideneamino]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methylbutanamide
CID 14546173
(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 2560083
(2S)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2414001
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 17391649
sodium 6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3,5-dihydroxy-3-methylhexanoate
CID 23681246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate?
The IUPAC name of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate (CID 6919625) is (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate is C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-].
What is the InChIKey of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate?
The InChIKey is MFJVYXLNZAGCGM-LBPRGKRZSA-M. The full InChI is InChI=1S/C18H16N2O2S/c1-12(17(21)22)23-18-19-15(13-8-4-2-5-9-13)16(20-18)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20)(H,21,22)/p-1/t12-/m0/s1.
What are the key properties of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate?
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate has a molecular weight of 323.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 6919625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).