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

C21H23N3OS — CID 9457048

IUPAC(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H23N3OS/c1-14(2)22-20(25)15(3)26-21-23-18(16-10-6-4-7-11-16)19(24-21)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyLWCWANGPNIDKBK-HNNXBMFYSA-N
MW365.50 g/mol
LogP4.75
Rot. Bonds6

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

(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide (PubChem CID 9457048) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
PubChem CID9457048
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H23N3OS/c1-14(2)22-20(25)15(3)26-21-23-18(16-10-6-4-7-11-16)19(24-21)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyLWCWANGPNIDKBK-HNNXBMFYSA-N
XLogP4.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide (CID 9457048) is (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
The InChIKey is LWCWANGPNIDKBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14(2)22-20(25)15(3)26-21-23-18(16-10-6-4-7-11-16)19(24-21)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,22,25)(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide?
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide has a molecular weight of 365.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 9457048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).