[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

C22H25N3O3 — CID 72918323

IUPAC[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)ncn2CCO)N1CCC(Cc2cccc(CO)c2)C1
InChIInChI=1S/C22H25N3O3/c26-9-8-25-15-23-20-12-19(4-5-21(20)25)22(28)24-7-6-17(13-24)10-16-2-1-3-18(11-16)14-27/h1-5,11-12,15,17,26-27H,6-10,13-14H2
InChIKeyDAKBMGJUZRPGLQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.23
Rot. Bonds6

About [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 72918323) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
PubChem CID72918323
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)ncn2CCO)N1CCC(Cc2cccc(CO)c2)C1
InChIInChI=1S/C22H25N3O3/c26-9-8-25-15-23-20-12-19(4-5-21(20)25)22(28)24-7-6-17(13-24)10-16-2-1-3-18(11-16)14-27/h1-5,11-12,15,17,26-27H,6-10,13-14H2
InChIKeyDAKBMGJUZRPGLQ-UHFFFAOYSA-N
XLogP2.23
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]pyridin-2-one
CID 97136366
3-[2-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 97150971
(9aR)-2-[1-(2-hydroxyethyl)benzimidazole-5-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95220111
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176504679
2-(benzotriazol-2-yl)-1-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97208320
(1-benzylpyrazol-4-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97126462
[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97193036
(2,5-dimethylphenyl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97207529
(5-chlorothiophen-2-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97211126
3-cyclopropyl-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 72847288
[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126451869

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (CID 72918323) is [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)ncn2CCO)N1CCC(Cc2cccc(CO)c2)C1.
What is the InChIKey of [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DAKBMGJUZRPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-9-8-25-15-23-20-12-19(4-5-21(20)25)22(28)24-7-6-17(13-24)10-16-2-1-3-18(11-16)14-27/h1-5,11-12,15,17,26-27H,6-10,13-14H2.
What are the key properties of [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
[1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)benzimidazol-5-yl]-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72918323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).