4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C21H24N4O2 — CID 45231611

IUPAC4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(NCc3nc4ccccc4[nH]3)CC2=O)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-8-6-15(7-9-17)10-11-25-14-16(12-21(25)26)22-13-20-23-18-4-2-3-5-19(18)24-20/h2-9,16,22H,10-14H2,1H3,(H,23,24)
InChIKeyGTKKLYDITONXDX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.50
Rot. Bonds7

About 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 45231611) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID45231611
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(NCc3nc4ccccc4[nH]3)CC2=O)cc1
InChIInChI=1S/C21H24N4O2/c1-27-17-8-6-15(7-9-17)10-11-25-14-16(12-21(25)26)22-13-20-23-18-4-2-3-5-19(18)24-20/h2-9,16,22H,10-14H2,1H3,(H,23,24)
InChIKeyGTKKLYDITONXDX-UHFFFAOYSA-N
XLogP2.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42287956
1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 45209241
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 25292872
1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45229589
1-[2-(4-methoxyphenyl)ethyl]-4-[(5-methyl-1H-imidazol-4-yl)methylamino]pyrrolidin-2-one
CID 45250844
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709436
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloropyrrolidin-2-one
CID 168688678
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 86207018
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 45231611) is 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(CCN2CC(NCc3nc4ccccc4[nH]3)CC2=O)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is GTKKLYDITONXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-17-8-6-15(7-9-17)10-11-25-14-16(12-21(25)26)22-13-20-23-18-4-2-3-5-19(18)24-20/h2-9,16,22H,10-14H2,1H3,(H,23,24).
What are the key properties of 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45231611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).