2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole

C19H15N3O — CID 20703828

IUPAC2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
SMILESc1ccc(Oc2ccc(Cc3nc4ccccc4[nH]3)cn2)cc1
InChIInChI=1S/C19H15N3O/c1-2-6-15(7-3-1)23-19-11-10-14(13-20-19)12-18-21-16-8-4-5-9-17(16)22-18/h1-11,13H,12H2,(H,21,22)
InChIKeyOWGBASDVVYFOIZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.34
Rot. Bonds4

About 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole

2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole (PubChem CID 20703828) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
PubChem CID20703828
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
SMILESc1ccc(Oc2ccc(Cc3nc4ccccc4[nH]3)cn2)cc1
InChIInChI=1S/C19H15N3O/c1-2-6-15(7-3-1)23-19-11-10-14(13-20-19)12-18-21-16-8-4-5-9-17(16)22-18/h1-11,13H,12H2,(H,21,22)
InChIKeyOWGBASDVVYFOIZ-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole
CID 90869364
2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
CID 141216936
2-[[4-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methyl]-1H-benzimidazole
CID 70893680
2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
CID 163399793
6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
CID 168555204
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
2-(6-phenoxy-3-pyridinyl)-1H-indole
CID 150235769
2-[(3S,5S)-5-[[4-(1H-benzimidazol-2-ylmethyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid
CID 57275116
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole
CID 89482987
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780

Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole (CID 20703828) is 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole is c1ccc(Oc2ccc(Cc3nc4ccccc4[nH]3)cn2)cc1.
What is the InChIKey of 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole?
The InChIKey is OWGBASDVVYFOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-6-15(7-3-1)23-19-11-10-14(13-20-19)12-18-21-16-8-4-5-9-17(16)22-18/h1-11,13H,12H2,(H,21,22).
What are the key properties of 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole?
2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole has a molecular weight of 301.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 20703828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).