1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone

C20H28N4O2 — CID 124684087

IUPAC1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
SMILESCCn1c([C@H]2CCCN2C(=O)CNC[C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-2-23-17-9-4-3-8-16(17)22-20(23)18-10-5-11-24(18)19(25)14-21-13-15-7-6-12-26-15/h3-4,8-9,15,18,21H,2,5-7,10-14H2,1H3/t15-,18-/m1/s1
InChIKeyVAJDQRCSUKZWNR-CRAIPNDOSA-N
MW356.47 g/mol
LogP2.49
Rot. Bonds6

About 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone

1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone (PubChem CID 124684087) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
PubChem CID124684087
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
SMILESCCn1c([C@H]2CCCN2C(=O)CNC[C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-2-23-17-9-4-3-8-16(17)22-20(23)18-10-5-11-24(18)19(25)14-21-13-15-7-6-12-26-15/h3-4,8-9,15,18,21H,2,5-7,10-14H2,1H3/t15-,18-/m1/s1
InChIKeyVAJDQRCSUKZWNR-CRAIPNDOSA-N
XLogP2.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95310410
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
The IUPAC name of 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone (CID 124684087) is 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone.
What is the SMILES notation for 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
The canonical SMILES for 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone is CCn1c([C@H]2CCCN2C(=O)CNC[C@H]2CCCO2)nc2ccccc21.
What is the InChIKey of 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
The InChIKey is VAJDQRCSUKZWNR-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-23-17-9-4-3-8-16(17)22-20(23)18-10-5-11-24(18)19(25)14-21-13-15-7-6-12-26-15/h3-4,8-9,15,18,21H,2,5-7,10-14H2,1H3/t15-,18-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone?
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone is sourced from PubChem (CID 124684087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).