3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one

C21H19N3O — CID 164981966

IUPAC3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3cncc(CCc4ccccc4)c3)ccc21
InChIInChI=1S/C21H19N3O/c1-24-20-10-9-17(12-19(20)23-21(24)25)18-11-16(13-22-14-18)8-7-15-5-3-2-4-6-15/h2-6,9-14H,7-8H2,1H3,(H,23,25)
InChIKeyFPVHSRVEZLSYIF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.71
Rot. Bonds4

About 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one

3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one (PubChem CID 164981966) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one
PubChem CID164981966
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3cncc(CCc4ccccc4)c3)ccc21
InChIInChI=1S/C21H19N3O/c1-24-20-10-9-17(12-19(20)23-21(24)25)18-11-16(13-22-14-18)8-7-15-5-3-2-4-6-15/h2-6,9-14H,7-8H2,1H3,(H,23,25)
InChIKeyFPVHSRVEZLSYIF-UHFFFAOYSA-N
XLogP3.71
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 111122028
3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 134084698
6-(aminomethyl)-3-methyl-1H-benzimidazol-2-one
CID 65037640
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70318245
6-(3-amino-1H-pyrazol-5-yl)-3-methyl-1H-benzimidazol-2-one
CID 117330218
6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
CID 110491478
1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one
CID 168926684
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
CID 134084598
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one (CID 164981966) is 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(-c3cncc(CCc4ccccc4)c3)ccc21.
What is the InChIKey of 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one?
The InChIKey is FPVHSRVEZLSYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-24-20-10-9-17(12-19(20)23-21(24)25)18-11-16(13-22-14-18)8-7-15-5-3-2-4-6-15/h2-6,9-14H,7-8H2,1H3,(H,23,25).
What are the key properties of 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one?
3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one has a molecular weight of 329.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 164981966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).