2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole

C17H12N4O — CID 168553556

IUPAC2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
SMILESc1cnc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1
InChIInChI=1S/C17H12N4O/c1-2-5-15-14(4-1)20-16(21-15)12-6-8-13(9-7-12)22-17-18-10-3-11-19-17/h1-11H,(H,20,21)
InChIKeyQONFRDVWKGMZPB-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole

2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole (PubChem CID 168553556) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
PubChem CID168553556
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
SMILESc1cnc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1
InChIInChI=1S/C17H12N4O/c1-2-5-15-14(4-1)20-16(21-15)12-6-8-13(9-7-12)22-17-18-10-3-11-19-17/h1-11H,(H,20,21)
InChIKeyQONFRDVWKGMZPB-UHFFFAOYSA-N
XLogP3.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
CID 76845877
3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
CID 122211363
2-[4-(5-chloro-2-methylphenoxy)phenyl]-1H-benzimidazole
CID 68842824
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
CID 168555204
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole (CID 168553556) is 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole is c1cnc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1.
What is the InChIKey of 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole?
The InChIKey is QONFRDVWKGMZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-5-15-14(4-1)20-16(21-15)12-6-8-13(9-7-12)22-17-18-10-3-11-19-17/h1-11H,(H,20,21).
What are the key properties of 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole?
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole has a molecular weight of 288.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168553556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).