4-(1H-benzimidazol-2-yl)pyrimidin-5-ol

C11H8N4O — CID 136748891

IUPAC4-(1H-benzimidazol-2-yl)pyrimidin-5-ol
SMILESOc1cncnc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C11H8N4O/c16-9-5-12-6-13-10(9)11-14-7-3-1-2-4-8(7)15-11/h1-6,16H,(H,14,15)
InChIKeyBUMVMJYUGMGMCZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.73
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol

4-(1H-benzimidazol-2-yl)pyrimidin-5-ol (PubChem CID 136748891) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)pyrimidin-5-ol
PubChem CID136748891
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(1H-benzimidazol-2-yl)pyrimidin-5-ol
SMILESOc1cncnc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C11H8N4O/c16-9-5-12-6-13-10(9)11-14-7-3-1-2-4-8(7)15-11/h1-6,16H,(H,14,15)
InChIKeyBUMVMJYUGMGMCZ-UHFFFAOYSA-N
XLogP1.73
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
CID 59472192
CID 59472192
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 132601824
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol (CID 136748891) is 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol is Oc1cncnc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol?
The InChIKey is BUMVMJYUGMGMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-9-5-12-6-13-10(9)11-14-7-3-1-2-4-8(7)15-11/h1-6,16H,(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol?
4-(1H-benzimidazol-2-yl)pyrimidin-5-ol has a molecular weight of 212.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)pyrimidin-5-ol is sourced from PubChem (CID 136748891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).