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

C18H17N3O2 — CID 126451844

IUPAC1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-23-13-6-4-5-12(11-13)16-9-10-21(16)18(22)17-19-14-7-2-3-8-15(14)20-17/h2-8,11,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyLTMPNDUULHKZAB-MRXNPFEDSA-N
MW307.35 g/mol
LogP3.16
Rot. Bonds3

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

1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone (PubChem CID 126451844) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
PubChem CID126451844
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-23-13-6-4-5-12(11-13)16-9-10-21(16)18(22)17-19-14-7-2-3-8-15(14)20-17/h2-8,11,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyLTMPNDUULHKZAB-MRXNPFEDSA-N
XLogP3.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843
[6-(methoxymethyl)-2-pyridinyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 74235529
3-[3-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329512
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 92614119
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97145875
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97454861
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone (CID 126451844) is 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone is COc1cccc([C@H]2CCN2C(=O)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
The InChIKey is LTMPNDUULHKZAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-13-6-4-5-12(11-13)16-9-10-21(16)18(22)17-19-14-7-2-3-8-15(14)20-17/h2-8,11,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone has a molecular weight of 307.35 g/mol, XLogP of 3.16, 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-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126451844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).