(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone

C20H21N3O — CID 46981412

IUPAC(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc2n1C
InChIInChI=1S/C20H21N3O/c1-14-21-18-12-16(8-9-19(18)22(14)2)20(24)23-11-10-17(13-23)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyNFWKOTJVDVPHLH-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.51
Rot. Bonds2

About (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone

(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 46981412) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID46981412
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc2n1C
InChIInChI=1S/C20H21N3O/c1-14-21-18-12-16(8-9-19(18)22(14)2)20(24)23-11-10-17(13-23)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyNFWKOTJVDVPHLH-UHFFFAOYSA-N
XLogP3.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872305
(1,2-dimethylbenzimidazol-5-yl)-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone
CID 95800188
(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190523
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 46981412) is (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone is Cc1nc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is NFWKOTJVDVPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-21-18-12-16(8-9-19(18)22(14)2)20(24)23-11-10-17(13-23)15-6-4-3-5-7-15/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46981412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).