4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile

C21H20N4O — CID 95278101

IUPAC4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
SMILESCCn1c([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)nc2ccccc21
InChIInChI=1S/C21H20N4O/c1-2-24-18-7-4-3-6-17(18)23-20(24)19-8-5-13-25(19)21(26)16-11-9-15(14-22)10-12-16/h3-4,6-7,9-12,19H,2,5,8,13H2,1H3/t19-/m1/s1
InChIKeyUOOWYAVNPZUVRJ-LJQANCHMSA-N
MW344.42 g/mol
LogP3.91
Rot. Bonds3

About 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile

4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 95278101) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
PubChem CID95278101
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
SMILESCCn1c([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)nc2ccccc21
InChIInChI=1S/C21H20N4O/c1-2-24-18-7-4-3-6-17(18)23-20(24)19-8-5-13-25(19)21(26)16-11-9-15(14-22)10-12-16/h3-4,6-7,9-12,19H,2,5,8,13H2,1H3/t19-/m1/s1
InChIKeyUOOWYAVNPZUVRJ-LJQANCHMSA-N
XLogP3.91
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60620906
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
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
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile (CID 95278101) is 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile is CCn1c([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)nc2ccccc21.
What is the InChIKey of 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is UOOWYAVNPZUVRJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-24-18-7-4-3-6-17(18)23-20(24)19-8-5-13-25(19)21(26)16-11-9-15(14-22)10-12-16/h3-4,6-7,9-12,19H,2,5,8,13H2,1H3/t19-/m1/s1.
What are the key properties of 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile?
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 344.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 95278101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).