[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone

C19H16N4O — CID 90505803

IUPAC[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H16N4O/c24-19(13-5-6-15-12(9-13)7-8-20-15)23-10-14(11-23)18-21-16-3-1-2-4-17(16)22-18/h1-9,14,20H,10-11H2,(H,21,22)
InChIKeyOECVIFQZPBANIR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.28
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 90505803) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID90505803
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H16N4O/c24-19(13-5-6-15-12(9-13)7-8-20-15)23-10-14(11-23)18-21-16-3-1-2-4-17(16)22-18/h1-9,14,20H,10-11H2,(H,21,22)
InChIKeyOECVIFQZPBANIR-UHFFFAOYSA-N
XLogP3.28
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90505752
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46852471
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42932421
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90505719
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone (CID 90505803) is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)N1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is OECVIFQZPBANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(13-5-6-15-12(9-13)7-8-20-15)23-10-14(11-23)18-21-16-3-1-2-4-17(16)22-18/h1-9,14,20H,10-11H2,(H,21,22).
What are the key properties of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 90505803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).