3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one

C20H22N4O2 — CID 136554107

IUPAC3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCN(c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1
InChIInChI=1S/C20H22N4O2/c1-22(15-6-4-3-5-7-15)16-10-11-24(13-16)19(25)14-8-9-18-17(12-14)21-20(26)23(18)2/h3-9,12,16H,10-11,13H2,1-2H3,(H,21,26)
InChIKeyUCENHGIDHPDBJR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.22
Rot. Bonds3

About 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one

3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one (PubChem CID 136554107) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one
PubChem CID136554107
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCN(c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1
InChIInChI=1S/C20H22N4O2/c1-22(15-6-4-3-5-7-15)16-10-11-24(13-16)19(25)14-8-9-18-17(12-14)21-20(26)23(18)2/h3-9,12,16H,10-11,13H2,1-2H3,(H,21,26)
InChIKeyUCENHGIDHPDBJR-UHFFFAOYSA-N
XLogP2.22
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
CID 167875360
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one
CID 86966484
5-[(3S)-3-aminopiperidine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 155955456
5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122117261
[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 167886981
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 71885632
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[(3S)-3-[(1-tert-butylazetidin-3-yl)-methylamino]pyrrolidin-1-yl]-phenylmethanone
CID 141333616
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
6-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 77401853

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one (CID 136554107) is 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one is CN(c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1.
What is the InChIKey of 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is UCENHGIDHPDBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-22(15-6-4-3-5-7-15)16-10-11-24(13-16)19(25)14-8-9-18-17(12-14)21-20(26)23(18)2/h3-9,12,16H,10-11,13H2,1-2H3,(H,21,26).
What are the key properties of 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one?
3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 136554107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).