(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid

C24H25N3O4 — CID 122616608

IUPAC(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
SMILESCOCCn1c(N2CC[C@@]3(CCc4cc(C(=O)O)ccc4C3)C2=O)nc2ccccc21
InChIInChI=1S/C24H25N3O4/c1-31-13-12-26-20-5-3-2-4-19(20)25-23(26)27-11-10-24(22(27)30)9-8-16-14-17(21(28)29)6-7-18(16)15-24/h2-7,14H,8-13,15H2,1H3,(H,28,29)/t24-/m1/s1
InChIKeyWJMYYPYUPLWSDO-XMMPIXPASA-N
MW419.48 g/mol
LogP3.29
Rot. Bonds5

About (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid

(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid (PubChem CID 122616608) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid.

Molecular Properties

Compound Name(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
PubChem CID122616608
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
SMILESCOCCn1c(N2CC[C@@]3(CCc4cc(C(=O)O)ccc4C3)C2=O)nc2ccccc21
InChIInChI=1S/C24H25N3O4/c1-31-13-12-26-20-5-3-2-4-19(20)25-23(26)27-11-10-24(22(27)30)9-8-16-14-17(21(28)29)6-7-18(16)15-24/h2-7,14H,8-13,15H2,1H3,(H,28,29)/t24-/m1/s1
InChIKeyWJMYYPYUPLWSDO-XMMPIXPASA-N
XLogP3.29
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N-hydroxy-1'-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616489
N-hydroxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 126645774
(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
CID 122616466
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
1-[1-(2-methoxyethyl)benzimidazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42880181
2-[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 7856939
2-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 7856940
6-(2-hydroxyacetyl)-1'-phenylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 157292109
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576
N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 42880175
N-hydroxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747792

Frequently Asked Questions

What is the IUPAC name of (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The IUPAC name of (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid (CID 122616608) is (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid.
What is the SMILES notation for (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The canonical SMILES for (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid is COCCn1c(N2CC[C@@]3(CCc4cc(C(=O)O)ccc4C3)C2=O)nc2ccccc21.
What is the InChIKey of (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
The InChIKey is WJMYYPYUPLWSDO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-13-12-26-20-5-3-2-4-19(20)25-23(26)27-11-10-24(22(27)30)9-8-16-14-17(21(28)29)6-7-18(16)15-24/h2-7,14H,8-13,15H2,1H3,(H,28,29)/t24-/m1/s1.
What are the key properties of (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid?
(6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid has a molecular weight of 419.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1'-[1-(2-methoxyethyl)benzimidazol-2-yl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid is sourced from PubChem (CID 122616608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).