[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone

C19H15N5O2 — CID 2125453

IUPAC[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc(Nc3nc4ccccc4[nH]3)nc2)c1
InChIInChI=1S/C19H15N5O2/c1-11-6-7-16(25)13(8-11)17(26)12-9-20-18(21-10-12)24-19-22-14-4-2-3-5-15(14)23-19/h2-10,25H,1H3,(H2,20,21,22,23,24)
InChIKeyHBDLIMRGLDUIQV-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.34
Rot. Bonds4

About [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone

[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 2125453) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
PubChem CID2125453
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc(Nc3nc4ccccc4[nH]3)nc2)c1
InChIInChI=1S/C19H15N5O2/c1-11-6-7-16(25)13(8-11)17(26)12-9-20-18(21-10-12)24-19-22-14-4-2-3-5-15(14)23-19/h2-10,25H,1H3,(H2,20,21,22,23,24)
InChIKeyHBDLIMRGLDUIQV-UHFFFAOYSA-N
XLogP3.34
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone (CID 2125453) is [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2cnc(Nc3nc4ccccc4[nH]3)nc2)c1.
What is the InChIKey of [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is HBDLIMRGLDUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-11-6-7-16(25)13(8-11)17(26)12-9-20-18(21-10-12)24-19-22-14-4-2-3-5-15(14)23-19/h2-10,25H,1H3,(H2,20,21,22,23,24).
What are the key properties of [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone?
[2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 345.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-ylamino)pyrimidin-5-yl]-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 2125453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).