[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone

C24H21N3O2 — CID 46852471

IUPAC[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-22-9-5-2-6-19(22)16-10-12-17(13-11-16)24(28)27-14-18(15-27)23-25-20-7-3-4-8-21(20)26-23/h2-13,18H,14-15H2,1H3,(H,25,26)
InChIKeyFNTXCJCKNKKABT-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.48
Rot. Bonds4

About [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone (PubChem CID 46852471) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
PubChem CID46852471
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-22-9-5-2-6-19(22)16-10-12-17(13-11-16)24(28)27-14-18(15-27)23-25-20-7-3-4-8-21(20)26-23/h2-13,18H,14-15H2,1H3,(H,25,26)
InChIKeyFNTXCJCKNKKABT-UHFFFAOYSA-N
XLogP4.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]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]-(4-tert-butylphenyl)methanone
CID 90505686
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51928971
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90505752
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 42932428

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone (CID 46852471) is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone is COc1ccccc1-c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is FNTXCJCKNKKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-22-9-5-2-6-19(22)16-10-12-17(13-11-16)24(28)27-14-18(15-27)23-25-20-7-3-4-8-21(20)26-23/h2-13,18H,14-15H2,1H3,(H,25,26).
What are the key properties of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone?
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 383.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 46852471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).