[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone

C27H27N3O3 — CID 126726272

IUPAC[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CCOCC3)cc21
InChIInChI=1S/C27H27N3O3/c1-2-30-24-19-20(25(31)29-15-17-33-18-16-29)13-14-23(24)28-26(30)27(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,32H,2,15-18H2,1H3
InChIKeyPSSQASHKTPDEEH-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.81
Rot. Bonds5

About [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone

[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 126726272) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID126726272
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CCOCC3)cc21
InChIInChI=1S/C27H27N3O3/c1-2-30-24-19-20(25(31)29-15-17-33-18-16-29)13-14-23(24)28-26(30)27(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,32H,2,15-18H2,1H3
InChIKeyPSSQASHKTPDEEH-UHFFFAOYSA-N
XLogP3.81
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonyl]piperazine-1-carboxylate
CID 118516021
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2S)-2-hydroxy-3-methoxypropyl]benzimidazole-5-carboxamide
CID 126726531
(1-ethyl-6-propylbenzimidazol-2-yl)-diphenylmethanol
CID 118516006
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-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976
(2S)-N-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]-2-hydroxypropanamide
CID 126726341
N-[3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2-oxopropyl]acetamide
CID 159797522
[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
CID 118519218
[1-ethyl-6-(3-methylsulfonylphenoxy)benzimidazol-2-yl]-diphenylmethanol
CID 155392012

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone (CID 126726272) is [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CCOCC3)cc21.
What is the InChIKey of [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PSSQASHKTPDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-2-30-24-19-20(25(31)29-15-17-33-18-16-29)13-14-23(24)28-26(30)27(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,32H,2,15-18H2,1H3.
What are the key properties of [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone?
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 441.53 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126726272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).