(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide

C26H27N3O3 — CID 126726341

IUPAC(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(=O)[C@H](C)O)cc21
InChIInChI=1S/C26H27N3O3/c1-3-29-23-16-19(17-27-24(31)18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31)/t18-/m0/s1
InChIKeyNAZSSWJTWYUHSW-SFHVURJKSA-N
MW429.52 g/mol
LogP3.34
Rot. Bonds7

About (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide

(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide (PubChem CID 126726341) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
PubChem CID126726341
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(=O)[C@H](C)O)cc21
InChIInChI=1S/C26H27N3O3/c1-3-29-23-16-19(17-27-24(31)18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31)/t18-/m0/s1
InChIKeyNAZSSWJTWYUHSW-SFHVURJKSA-N
XLogP3.34
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide with MolForge

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Related Compounds

(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
CID 118516006
N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide
CID 159797522
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 126726519
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide
CID 126729861
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
CID 126729829
3-ethyl-N-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976
[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
CID 118519218
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
3-ethyl-4-fluoro-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxypropyl]benzimidazole-5-carboxamide
CID 126726509

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide (CID 126726341) is (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CNC(=O)[C@H](C)O)cc21.
What is the InChIKey of (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide?
The InChIKey is NAZSSWJTWYUHSW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-29-23-16-19(17-27-24(31)18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31)/t18-/m0/s1.
What are the key properties of (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide?
(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide has a molecular weight of 429.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 126726341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).