N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide

C24H24N6O2S — CID 45207604

IUPACN-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCCC2c2nccs2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C24H24N6O2S/c1-16(31)28-20-14-17(24(32)30-10-4-6-21(30)23-26-9-12-33-23)13-19-22(20)29(15-27-19)11-7-18-5-2-3-8-25-18/h2-3,5,8-9,12-15,21H,4,6-7,10-11H2,1H3,(H,28,31)
InChIKeyFWPXQMQFIDCSJZ-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.07
Rot. Bonds6

About N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide

N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide (PubChem CID 45207604) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide
PubChem CID45207604
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC NameN-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCCC2c2nccs2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C24H24N6O2S/c1-16(31)28-20-14-17(24(32)30-10-4-6-21(30)23-26-9-12-33-23)13-19-22(20)29(15-27-19)11-7-18-5-2-3-8-25-18/h2-3,5,8-9,12-15,21H,4,6-7,10-11H2,1H3,(H,28,31)
InChIKeyFWPXQMQFIDCSJZ-UHFFFAOYSA-N
XLogP4.07
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 25190532
5-(2-amino-1,3-thiazol-4-yl)-N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-2-carboxamide
CID 25190533
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrazin-2-yl)thiophene-2-carboxamide
CID 25190535
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrrolidin-1-yl)thiophene-2-carboxamide
CID 25190536
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
CID 25190537
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
5-(2-amino-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277647

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide?
The IUPAC name of N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide (CID 45207604) is N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide is CC(=O)Nc1cc(C(=O)N2CCCC2c2nccs2)cc2ncn(CCc3ccccn3)c12.
What is the InChIKey of N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide?
The InChIKey is FWPXQMQFIDCSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-16(31)28-20-14-17(24(32)30-10-4-6-21(30)23-26-9-12-33-23)13-19-22(20)29(15-27-19)11-7-18-5-2-3-8-25-18/h2-3,5,8-9,12-15,21H,4,6-7,10-11H2,1H3,(H,28,31).
What are the key properties of N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide?
N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-2-ylethyl)-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]acetamide is sourced from PubChem (CID 45207604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).