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

C24H23N3O3 — CID 126729861

IUPACN-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CO)cc21
InChIInChI=1S/C24H23N3O3/c1-2-27-21-15-19(25-22(29)16-28)13-14-20(21)26-23(27)24(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28,30H,2,16H2,1H3,(H,25,29)
InChIKeyOZQUGKBZCNQVOE-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.27
Rot. Bonds6

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

N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide (PubChem CID 126729861) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide
PubChem CID126729861
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CO)cc21
InChIInChI=1S/C24H23N3O3/c1-2-27-21-15-19(25-22(29)16-28)13-14-20(21)26-23(27)24(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28,30H,2,16H2,1H3,(H,25,29)
InChIKeyOZQUGKBZCNQVOE-UHFFFAOYSA-N
XLogP3.27
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
CID 126729829
(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
CID 118516006
(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
CID 126726341
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 126726519
[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
CID 118519218
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
tert-butyl 4-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonyl]piperazine-1-carboxylate
CID 118516021
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531
3-ethyl-N-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976
[1-ethyl-6-(3-methylsulfonylphenoxy)benzimidazol-2-yl]-diphenylmethanol
CID 155392012

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide (CID 126729861) is N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CO)cc21.
What is the InChIKey of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide?
The InChIKey is OZQUGKBZCNQVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-27-21-15-19(25-22(29)16-28)13-14-20(21)26-23(27)24(30,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,28,30H,2,16H2,1H3,(H,25,29).
What are the key properties of N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide?
N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide has a molecular weight of 401.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide is sourced from PubChem (CID 126729861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).