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

C22H24N4O3 — CID 25349789

IUPAC(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C22H24N4O3/c1-3-12-25-17-9-5-4-8-16(17)23-22(25)24-21(28)15-13-20(27)26(14-15)18-10-6-7-11-19(18)29-2/h4-11,15H,3,12-14H2,1-2H3,(H,23,24,28)/t15-/m0/s1
InChIKeyOEPMETJHDSHQRF-HNNXBMFYSA-N
MW392.46 g/mol
LogP3.45
Rot. Bonds6

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

(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 25349789) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID25349789
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C22H24N4O3/c1-3-12-25-17-9-5-4-8-16(17)23-22(25)24-21(28)15-13-20(27)26(14-15)18-10-6-7-11-19(18)29-2/h4-11,15H,3,12-14H2,1-2H3,(H,23,24,28)/t15-/m0/s1
InChIKeyOEPMETJHDSHQRF-HNNXBMFYSA-N
XLogP3.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35738491
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754533
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120
(3S)-1-(2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 35036236
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7010928
N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55956574
1-(3-chlorophenyl)-N-(1-ethylbenzimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 43058942
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide (CID 25349789) is (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide is CCCn1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is OEPMETJHDSHQRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-12-25-17-9-5-4-8-16(17)23-22(25)24-21(28)15-13-20(27)26(14-15)18-10-6-7-11-19(18)29-2/h4-11,15H,3,12-14H2,1-2H3,(H,23,24,28)/t15-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 25349789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).