2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol

C25H23N5O2 — CID 137401094

IUPAC2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol
SMILESOc1ccc2c(c1)nc(-c1ccc3occc3c1)n2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C25H23N5O2/c31-19-7-8-21-20(15-19)28-24(17-6-9-22-16(14-17)11-13-32-22)30(21)23-10-12-26-25(29-23)27-18-4-2-1-3-5-18/h6-15,18,31H,1-5H2,(H,26,27,29)
InChIKeyXRBJMCNHHJGXOG-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.68
Rot. Bonds4

About 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol

2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol (PubChem CID 137401094) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol
PubChem CID137401094
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol
SMILESOc1ccc2c(c1)nc(-c1ccc3occc3c1)n2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C25H23N5O2/c31-19-7-8-21-20(15-19)28-24(17-6-9-22-16(14-17)11-13-32-22)30(21)23-10-12-26-25(29-23)27-18-4-2-1-3-5-18/h6-15,18,31H,1-5H2,(H,26,27,29)
InChIKeyXRBJMCNHHJGXOG-UHFFFAOYSA-N
XLogP5.68
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(cyclohexylamino)pyrimidin-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]benzimidazol-5-ol
CID 159404689
[3-[[4-[2-(1-benzofuran-5-yl)-5,6-dimethoxybenzimidazol-1-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-cyclopropylmethanone
CID 146315070
tert-butyl 3-[[4-[2-(1-benzofuran-5-yl)-5,6-dimethoxybenzimidazol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 146315027
cyclopropyl-[(3R)-3-[[4-(6-hydroxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 71584212
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxybenzimidazol-1-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 142742978
2-[2-naphthalen-2-yl-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazol-4-yl]acetonitrile
CID 135389001
4-(6-methyl-2-quinolin-2-ylbenzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 158666275
[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-quinolin-2-ylbenzimidazol-5-yl] N-methylcarbamate
CID 177370018
4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylbenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 158391357
4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine
CID 151366910
3-[[4-[5-(hydroxymethyl)-2-naphthalen-2-ylimidazol-1-yl]pyrimidin-2-yl]amino]piperidine-1-carbaldehyde
CID 146310061
3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086074

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol?
The IUPAC name of 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol (CID 137401094) is 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol?
The canonical SMILES for 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol is Oc1ccc2c(c1)nc(-c1ccc3occc3c1)n2-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol?
The InChIKey is XRBJMCNHHJGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-19-7-8-21-20(15-19)28-24(17-6-9-22-16(14-17)11-13-32-22)30(21)23-10-12-26-25(29-23)27-18-4-2-1-3-5-18/h6-15,18,31H,1-5H2,(H,26,27,29).
What are the key properties of 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol?
2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol has a molecular weight of 425.49 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-1-[2-(cyclohexylamino)pyrimidin-4-yl]benzimidazol-5-ol is sourced from PubChem (CID 137401094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).