(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

C20H21N3O — CID 136547220

IUPAC(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCCC1(c2ccccc2)CN(C(=O)c2ccc3c(c2)ncn3C)C1
InChIInChI=1S/C20H21N3O/c1-3-20(16-7-5-4-6-8-16)12-23(13-20)19(24)15-9-10-18-17(11-15)21-14-22(18)2/h4-11,14H,3,12-13H2,1-2H3
InChIKeyXJLARRPLOXALFT-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.38
Rot. Bonds3

About (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 136547220) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
PubChem CID136547220
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCCC1(c2ccccc2)CN(C(=O)c2ccc3c(c2)ncn3C)C1
InChIInChI=1S/C20H21N3O/c1-3-20(16-7-5-4-6-8-16)12-23(13-20)19(24)15-9-10-18-17(11-15)21-14-22(18)2/h4-11,14H,3,12-13H2,1-2H3
InChIKeyXJLARRPLOXALFT-UHFFFAOYSA-N
XLogP3.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
CID 136554374
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
CID 167882908
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
3-(fluoromethyl)-1-(1-methylbenzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 154846849
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(1-methylbenzimidazol-5-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97438456
N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
CID 110692625
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 139004659

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (CID 136547220) is (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is CCC1(c2ccccc2)CN(C(=O)c2ccc3c(c2)ncn3C)C1.
What is the InChIKey of (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is XJLARRPLOXALFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-20(16-7-5-4-6-8-16)12-23(13-20)19(24)15-9-10-18-17(11-15)21-14-22(18)2/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 136547220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).