1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone

C22H18N4O — CID 54674275

IUPAC1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2ncccc2-c2ccccc2)C1
InChIInChI=1S/C22H18N4O/c27-22(21-24-18-10-4-5-11-19(18)25-21)26-13-16(14-26)20-17(9-6-12-23-20)15-7-2-1-3-8-15/h1-12,16H,13-14H2,(H,24,25)
InChIKeyIRDYXJLMBIXWOA-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.86
Rot. Bonds3

About 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone (PubChem CID 54674275) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone
PubChem CID54674275
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2ncccc2-c2ccccc2)C1
InChIInChI=1S/C22H18N4O/c27-22(21-24-18-10-4-5-11-19(18)25-21)26-13-16(14-26)20-17(9-6-12-23-20)15-7-2-1-3-8-15/h1-12,16H,13-14H2,(H,24,25)
InChIKeyIRDYXJLMBIXWOA-UHFFFAOYSA-N
XLogP3.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mavorixafor
CID 11256587
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
Histidyltryptophyldiketopiperazine
CID 24066854
7-Benzyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538796
N-(2-(n-isopropyl-N-methylamino)-1h-benzo[d]imidazol-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 9887476
5-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyrimidine-2-carboxamide
CID 10024175
1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone (CID 54674275) is 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2ncccc2-c2ccccc2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone?
The InChIKey is IRDYXJLMBIXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(21-24-18-10-4-5-11-19(18)25-21)26-13-16(14-26)20-17(9-6-12-23-20)15-7-2-1-3-8-15/h1-12,16H,13-14H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-(3-phenyl-2-pyridinyl)azetidin-1-yl]methanone is sourced from PubChem (CID 54674275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).