(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H24N4O2 — CID 125163006

IUPAC(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](CN2CC(c3nc4ccccc4[nH]3)C2)CC1=O
InChIInChI=1S/C18H24N4O2/c1-24-7-6-22-10-13(8-17(22)23)9-21-11-14(12-21)18-19-15-4-2-3-5-16(15)20-18/h2-5,13-14H,6-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyPQKDPOVFFPPQOM-ZDUSSCGKSA-N
MW328.42 g/mol
LogP1.46
Rot. Bonds6

About (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125163006) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125163006
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](CN2CC(c3nc4ccccc4[nH]3)C2)CC1=O
InChIInChI=1S/C18H24N4O2/c1-24-7-6-22-10-13(8-17(22)23)9-21-11-14(12-21)18-19-15-4-2-3-5-16(15)20-18/h2-5,13-14H,6-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyPQKDPOVFFPPQOM-ZDUSSCGKSA-N
XLogP1.46
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56717915
(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
CID 125166349
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124758510
(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125157401
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125163006) is (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](CN2CC(c3nc4ccccc4[nH]3)C2)CC1=O.
What is the InChIKey of (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is PQKDPOVFFPPQOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-7-6-22-10-13(8-17(22)23)9-21-11-14(12-21)18-19-15-4-2-3-5-16(15)20-18/h2-5,13-14H,6-12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125163006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).