(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20N4O3 — CID 39310520

IUPAC(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1C[C@@H](C(=O)Nc2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-2-6-13(17)11-24-12-14(10-18(24)25)19(26)23-20-21-15-7-3-4-8-16(15)22-20/h2-9,14H,10-12H2,1H3,(H2,21,22,23,26)/t14-/m0/s1
InChIKeyHJKKXLMHJUTVIX-AWEZNQCLSA-N
MW364.41 g/mol
LogP2.56
Rot. Bonds5

About (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 39310520) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID39310520
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1C[C@@H](C(=O)Nc2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-2-6-13(17)11-24-12-14(10-18(24)25)19(26)23-20-21-15-7-3-4-8-16(15)22-20/h2-9,14H,10-12H2,1H3,(H2,21,22,23,26)/t14-/m0/s1
InChIKeyHJKKXLMHJUTVIX-AWEZNQCLSA-N
XLogP2.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42653435
N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17409393
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
N-(3,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46172093
(3S)-1-[(2-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39337419
N-(1H-benzimidazol-2-yl)-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650160
(3S)-N-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42536564
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(2-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183860
(3S)-N-(1H-benzimidazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234783
1-[(2-methoxyphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42653679

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 39310520) is (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CN1C[C@@H](C(=O)Nc2nc3ccccc3[nH]2)CC1=O.
What is the InChIKey of (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HJKKXLMHJUTVIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-9-5-2-6-13(17)11-24-12-14(10-18(24)25)19(26)23-20-21-15-7-3-4-8-16(15)22-20/h2-9,14H,10-12H2,1H3,(H2,21,22,23,26)/t14-/m0/s1.
What are the key properties of (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39310520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).