2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide

C24H28N4O4 — CID 127265055

IUPAC2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC2c2nc3ccccc3n2C(C)C)ccc1OCC(N)=O
InChIInChI=1S/C24H28N4O4/c1-15(2)28-18-8-5-4-7-17(18)26-23(28)19-9-6-12-27(19)24(30)16-10-11-20(21(13-16)31-3)32-14-22(25)29/h4-5,7-8,10-11,13,15,19H,6,9,12,14H2,1-3H3,(H2,25,29)
InChIKeyPKEHKJWINODKHL-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.47
Rot. Bonds7

About 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide

2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide (PubChem CID 127265055) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
PubChem CID127265055
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCCC2c2nc3ccccc3n2C(C)C)ccc1OCC(N)=O
InChIInChI=1S/C24H28N4O4/c1-15(2)28-18-8-5-4-7-17(18)26-23(28)19-9-6-12-27(19)24(30)16-10-11-20(21(13-16)31-3)32-14-22(25)29/h4-5,7-8,10-11,13,15,19H,6,9,12,14H2,1-3H3,(H2,25,29)
InChIKeyPKEHKJWINODKHL-UHFFFAOYSA-N
XLogP3.47
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 99212282
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1-propan-2-ylbenzimidazole
CID 95788619
(3-methoxy-4-propan-2-yloxyphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51925753
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
1-[(2R)-2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92901885
1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 128962564
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 55453365
2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 71889428
2-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methoxyphenoxy]acetamide
CID 94809319
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide (CID 127265055) is 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide is COc1cc(C(=O)N2CCCC2c2nc3ccccc3n2C(C)C)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is PKEHKJWINODKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15(2)28-18-8-5-4-7-17(18)26-23(28)19-9-6-12-27(19)24(30)16-10-11-20(21(13-16)31-3)32-14-22(25)29/h4-5,7-8,10-11,13,15,19H,6,9,12,14H2,1-3H3,(H2,25,29).
What are the key properties of 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 127265055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).