(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone

C21H23N3O3 — CID 51137904

IUPAC(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@H](c3nc4ccccc4n3C)C2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-23-17-7-5-4-6-16(17)22-20(23)15-10-11-24(13-15)21(25)14-8-9-18(26-2)19(12-14)27-3/h4-9,12,15H,10-11,13H2,1-3H3/t15-/m0/s1
InChIKeyAACCFBAQOKBPKJ-HNNXBMFYSA-N
MW365.43 g/mol
LogP3.22
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 51137904) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID51137904
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@H](c3nc4ccccc4n3C)C2)cc1OC
InChIInChI=1S/C21H23N3O3/c1-23-17-7-5-4-6-16(17)22-20(23)15-10-11-24(13-15)21(25)14-8-9-18(26-2)19(12-14)27-3/h4-9,12,15H,10-11,13H2,1-3H3/t15-/m0/s1
InChIKeyAACCFBAQOKBPKJ-HNNXBMFYSA-N
XLogP3.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
Mchb-1
CID 44561533
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
3,4,5-trimethoxy-N-(1-methyl-1H-benzimidazol-5-yl)benzamide
CID 929513
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
1-butyl-N-(2,3-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45270738
4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4784308
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 16195313

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 51137904) is (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CC[C@H](c3nc4ccccc4n3C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AACCFBAQOKBPKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23-17-7-5-4-6-16(17)22-20(23)15-10-11-24(13-15)21(25)14-8-9-18(26-2)19(12-14)27-3/h4-9,12,15H,10-11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51137904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).