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

C19H19N3O — CID 136554374

IUPAC(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CC(C)(c4ccccc4)C3)ccc21
InChIInChI=1S/C19H19N3O/c1-19(15-6-4-3-5-7-15)11-22(12-19)18(23)14-8-9-17-16(10-14)20-13-21(17)2/h3-10,13H,11-12H2,1-2H3
InChIKeySUMHTWNBAWVBLU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.99
Rot. Bonds2

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

(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone (PubChem CID 136554374) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
PubChem CID136554374
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CC(C)(c4ccccc4)C3)ccc21
InChIInChI=1S/C19H19N3O/c1-19(15-6-4-3-5-7-15)11-22(12-19)18(23)14-8-9-17-16(10-14)20-13-21(17)2/h3-10,13H,11-12H2,1-2H3
InChIKeySUMHTWNBAWVBLU-UHFFFAOYSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 136547220
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 139004659
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
3-(fluoromethyl)-1-(1-methylbenzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 154846849
(1-methylbenzimidazol-5-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97438456
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
N,1-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 95967901
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone?
The IUPAC name of (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone (CID 136554374) is (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone?
The canonical SMILES for (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone is Cn1cnc2cc(C(=O)N3CC(C)(c4ccccc4)C3)ccc21.
What is the InChIKey of (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone?
The InChIKey is SUMHTWNBAWVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-19(15-6-4-3-5-7-15)11-22(12-19)18(23)14-8-9-17-16(10-14)20-13-21(17)2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone?
(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 136554374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).