N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C22H23N5O2S — CID 9459935

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C22H23N5O2S/c28-21(23-12-19(20-8-5-11-29-20)26-9-3-4-10-26)13-27-18-7-2-1-6-16(18)25-22(27)17-14-30-15-24-17/h1-2,5-8,11,14-15,19H,3-4,9-10,12-13H2,(H,23,28)/t19-/m0/s1
InChIKeyVDIIYSDCYDXWOA-IBGZPJMESA-N
MW421.53 g/mol
LogP3.71
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 9459935) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID9459935
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C22H23N5O2S/c28-21(23-12-19(20-8-5-11-29-20)26-9-3-4-10-26)13-27-18-7-2-1-6-16(18)25-22(27)17-14-30-15-24-17/h1-2,5-8,11,14-15,19H,3-4,9-10,12-13H2,(H,23,28)/t19-/m0/s1
InChIKeyVDIIYSDCYDXWOA-IBGZPJMESA-N
XLogP3.71
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 25350697
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 47004561
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 63049608
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9291962
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41411599
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 99776473

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 9459935) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is VDIIYSDCYDXWOA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5O2S/c28-21(23-12-19(20-8-5-11-29-20)26-9-3-4-10-26)13-27-18-7-2-1-6-16(18)25-22(27)17-14-30-15-24-17/h1-2,5-8,11,14-15,19H,3-4,9-10,12-13H2,(H,23,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 421.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 9459935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).