3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H29N5O3S — CID 24986616

IUPAC3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1CN[C@H](C(=O)N2CCSC2)C1
InChIInChI=1S/C22H29N5O3S/c28-20(15-11-18(23-12-15)21(29)26-9-10-31-14-26)13-25-7-5-16(6-8-25)27-19-4-2-1-3-17(19)24-22(27)30/h1-4,15-16,18,23H,5-14H2,(H,24,30)/t15?,18-/m0/s1
InChIKeyBEZFMKKOXJWUKO-PKHIMPSTSA-N
MW443.57 g/mol
LogP1.05
Rot. Bonds5

About 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24986616) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24986616
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1CN[C@H](C(=O)N2CCSC2)C1
InChIInChI=1S/C22H29N5O3S/c28-20(15-11-18(23-12-15)21(29)26-9-10-31-14-26)13-25-7-5-16(6-8-25)27-19-4-2-1-3-17(19)24-22(27)30/h1-4,15-16,18,23H,5-14H2,(H,24,30)/t15?,18-/m0/s1
InChIKeyBEZFMKKOXJWUKO-PKHIMPSTSA-N
XLogP1.05
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 24986616) is 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1CN[C@H](C(=O)N2CCSC2)C1.
What is the InChIKey of 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is BEZFMKKOXJWUKO-PKHIMPSTSA-N. The full InChI is InChI=1S/C22H29N5O3S/c28-20(15-11-18(23-12-15)21(29)26-9-10-31-14-26)13-25-7-5-16(6-8-25)27-19-4-2-1-3-17(19)24-22(27)30/h1-4,15-16,18,23H,5-14H2,(H,24,30)/t15?,18-/m0/s1.
What are the key properties of 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 443.57 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-oxo-2-[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24986616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).