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

C17H14ClN3O — CID 90505704

IUPAC[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H14ClN3O/c18-13-6-2-1-5-12(13)17(22)21-9-11(10-21)16-19-14-7-3-4-8-15(14)20-16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyHULNEBPEZFXLEC-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.46
Rot. Bonds2

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

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 90505704) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
PubChem CID90505704
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H14ClN3O/c18-13-6-2-1-5-12(13)17(22)21-9-11(10-21)16-19-14-7-3-4-8-15(14)20-16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyHULNEBPEZFXLEC-UHFFFAOYSA-N
XLogP3.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90505719
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 71961008
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-chloro-1,3-dimethylpyrazol-5-yl)methanone
CID 119061831
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
3-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 166277654
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134799871

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone (CID 90505704) is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is HULNEBPEZFXLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-6-2-1-5-12(13)17(22)21-9-11(10-21)16-19-14-7-3-4-8-15(14)20-16/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone?
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 311.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 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]-(2-chlorophenyl)methanone is sourced from PubChem (CID 90505704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).