(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide

C21H21FN4O2 — CID 25356215

IUPAC(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C21H21FN4O2/c1-2-11-25-18-10-6-4-8-16(18)23-21(25)24-20(28)14-12-19(27)26(13-14)17-9-5-3-7-15(17)22/h3-10,14H,2,11-13H2,1H3,(H,23,24,28)/t14-/m0/s1
InChIKeyPRFGISBHXGQMDJ-AWEZNQCLSA-N
MW380.42 g/mol
LogP3.58
Rot. Bonds5

About (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide

(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 25356215) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID25356215
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C21H21FN4O2/c1-2-11-25-18-10-6-4-8-16(18)23-21(25)24-20(28)14-12-19(27)26(13-14)17-9-5-3-7-15(17)22/h3-10,14H,2,11-13H2,1H3,(H,23,24,28)/t14-/m0/s1
InChIKeyPRFGISBHXGQMDJ-AWEZNQCLSA-N
XLogP3.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25349789
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35738491
1-(3-chlorophenyl)-N-(1-ethylbenzimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 43058942
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18886113
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52898685

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide (CID 25356215) is (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide is CCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is PRFGISBHXGQMDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-2-11-25-18-10-6-4-8-16(18)23-21(25)24-20(28)14-12-19(27)26(13-14)17-9-5-3-7-15(17)22/h3-10,14H,2,11-13H2,1H3,(H,23,24,28)/t14-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 25356215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).