[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol

C27H26N4O — CID 118519218

IUPAC[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
SMILESCCn1cc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1
InChIInChI=1S/C27H26N4O/c1-3-30-19-21(18-28-30)20-15-16-24-25(17-20)31(4-2)26(29-24)27(32,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,32H,3-4H2,1-2H3
InChIKeyHBJLMDYUBCSMLU-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.22
Rot. Bonds6

About [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol

[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol (PubChem CID 118519218) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
PubChem CID118519218
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol
SMILESCCn1cc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1
InChIInChI=1S/C27H26N4O/c1-3-30-19-21(18-28-30)20-15-16-24-25(17-20)31(4-2)26(29-24)27(32,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,32H,3-4H2,1-2H3
InChIKeyHBJLMDYUBCSMLU-UHFFFAOYSA-N
XLogP5.22
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
CID 126729829
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]imidazo[4,5-c]pyridin-6-yl]oxyethanol
CID 126726489
[1-ethyl-6-(3-methylsulfonylphenoxy)benzimidazol-2-yl]-diphenylmethanol
CID 155392012
[1-ethyl-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 156855141
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
5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 168678854

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol?
The IUPAC name of [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol (CID 118519218) is [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol is CCn1cc(-c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1.
What is the InChIKey of [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol?
The InChIKey is HBJLMDYUBCSMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-3-30-19-21(18-28-30)20-15-16-24-25(17-20)31(4-2)26(29-24)27(32,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,32H,3-4H2,1-2H3.
What are the key properties of [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol?
[1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol has a molecular weight of 422.53 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-(1-ethylpyrazol-4-yl)benzimidazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 118519218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).