6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile

C19H12N4O — CID 168555204

IUPAC6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1
InChIInChI=1S/C19H12N4O/c20-11-13-5-10-18(21-12-13)24-15-8-6-14(7-9-15)19-22-16-3-1-2-4-17(16)23-19/h1-10,12H,(H,22,23)
InChIKeyBBCPGRQCUUNUJU-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.29
Rot. Bonds3

About 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile

6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile (PubChem CID 168555204) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
PubChem CID168555204
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1
InChIInChI=1S/C19H12N4O/c20-11-13-5-10-18(21-12-13)24-15-8-6-14(7-9-15)19-22-16-3-1-2-4-17(16)23-19/h1-10,12H,(H,22,23)
InChIKeyBBCPGRQCUUNUJU-UHFFFAOYSA-N
XLogP4.29
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
2-(4-pyrimidin-2-yloxyphenyl)-1H-benzimidazole
CID 168553556
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
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-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 75391013
4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
CID 168555272
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
azane;2-phenyl-1H-benzimidazole
CID 172858780
3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
CID 122211363

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile (CID 168555204) is 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile is N#Cc1ccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is BBCPGRQCUUNUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O/c20-11-13-5-10-18(21-12-13)24-15-8-6-14(7-9-15)19-22-16-3-1-2-4-17(16)23-19/h1-10,12H,(H,22,23).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile?
6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 168555204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).