3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol

C18H15N5O — CID 46893484

IUPAC3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol
SMILESCc1nccc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C18H15N5O/c1-12-19-10-9-17(20-12)23-16-8-3-2-7-15(16)22-18(23)21-13-5-4-6-14(24)11-13/h2-11,24H,1H3,(H,21,22)
InChIKeyBGMKCGCGSXNEDR-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.57
Rot. Bonds3

About 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol

3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol (PubChem CID 46893484) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol
PubChem CID46893484
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol
SMILESCc1nccc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1
InChIInChI=1S/C18H15N5O/c1-12-19-10-9-17(20-12)23-16-8-3-2-7-15(16)22-18(23)21-13-5-4-6-14(24)11-13/h2-11,24H,1H3,(H,21,22)
InChIKeyBGMKCGCGSXNEDR-UHFFFAOYSA-N
XLogP3.57
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol?
The IUPAC name of 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol (CID 46893484) is 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol.
What is the SMILES notation for 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol?
The canonical SMILES for 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol is Cc1nccc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1.
What is the InChIKey of 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol?
The InChIKey is BGMKCGCGSXNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-19-10-9-17(20-12)23-16-8-3-2-7-15(16)22-18(23)21-13-5-4-6-14(24)11-13/h2-11,24H,1H3,(H,21,22).
What are the key properties of 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol?
3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol has a molecular weight of 317.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenol is sourced from PubChem (CID 46893484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).