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

C27H27N3O3 — CID 159797522

IUPACN-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(=O)CNC(C)=O)cc21
InChIInChI=1S/C27H27N3O3/c1-3-30-25-17-20(16-23(32)18-28-19(2)31)14-15-24(25)29-26(30)27(33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,17,33H,3,16,18H2,1-2H3,(H,28,31)
InChIKeyNJIZUSUJLRLJDU-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.59
Rot. Bonds8

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

N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide (PubChem CID 159797522) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide
PubChem CID159797522
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(=O)CNC(C)=O)cc21
InChIInChI=1S/C27H27N3O3/c1-3-30-25-17-20(16-23(32)18-28-19(2)31)14-15-24(25)29-26(30)27(33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,17,33H,3,16,18H2,1-2H3,(H,28,31)
InChIKeyNJIZUSUJLRLJDU-UHFFFAOYSA-N
XLogP3.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
CID 126726341
(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
CID 118516006
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
CID 126726519
N-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-hydroxyacetamide
CID 126729861
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
CID 126729829
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
CID 118519218
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
3-ethyl-N-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976
tert-butyl 4-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonyl]piperazine-1-carboxylate
CID 118516021

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide?
The IUPAC name of N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide (CID 159797522) is N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide?
The canonical SMILES for N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(=O)CNC(C)=O)cc21.
What is the InChIKey of N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide?
The InChIKey is NJIZUSUJLRLJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-3-30-25-17-20(16-23(32)18-28-19(2)31)14-15-24(25)29-26(30)27(33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,17,33H,3,16,18H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide?
N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide is sourced from PubChem (CID 159797522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).