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

C24H21N3O — CID 126726519

IUPAC2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)cc21
InChIInChI=1S/C24H21N3O/c1-2-27-22-17-18(15-16-25)13-14-21(22)26-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,28H,2,15H2,1H3
InChIKeyRNYIGRLYNCNHMX-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.41
Rot. Bonds5

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

2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile (PubChem CID 126726519) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
PubChem CID126726519
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)cc21
InChIInChI=1S/C24H21N3O/c1-2-27-22-17-18(15-16-25)13-14-21(22)26-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,28H,2,15H2,1H3
InChIKeyRNYIGRLYNCNHMX-UHFFFAOYSA-N
XLogP4.41
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[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
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-5-fluoro-2-[hydroxy(diphenyl)methyl]benzimidazole-4-carbonitrile
CID 126726254
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 126726272
[1-ethyl-6-(3-methylsulfonylphenoxy)benzimidazol-2-yl]-diphenylmethanol
CID 155392012
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
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 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile (CID 126726519) is 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC#N)cc21.
What is the InChIKey of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
The InChIKey is RNYIGRLYNCNHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-2-27-22-17-18(15-16-25)13-14-21(22)26-23(27)24(28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,28H,2,15H2,1H3.
What are the key properties of 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile?
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile has a molecular weight of 367.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetonitrile is sourced from PubChem (CID 126726519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).