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

C26H26N6O2S — CID 45167383

IUPACN-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide
SMILESCn1c(-c2ccncc2)nc2cc(C(=O)N3CCCC3c3nccs3)cc(NC(=O)C3CCC3)c21
InChIInChI=1S/C26H26N6O2S/c1-31-22-19(29-23(31)16-7-9-27-10-8-16)14-18(15-20(22)30-24(33)17-4-2-5-17)26(34)32-12-3-6-21(32)25-28-11-13-35-25/h7-11,13-15,17,21H,2-6,12H2,1H3,(H,30,33)
InChIKeyQADKPMDQLHQQKN-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.81
Rot. Bonds5

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

N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide (PubChem CID 45167383) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide
PubChem CID45167383
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide
SMILESCn1c(-c2ccncc2)nc2cc(C(=O)N3CCCC3c3nccs3)cc(NC(=O)C3CCC3)c21
InChIInChI=1S/C26H26N6O2S/c1-31-22-19(29-23(31)16-7-9-27-10-8-16)14-18(15-20(22)30-24(33)17-4-2-5-17)26(34)32-12-3-6-21(32)25-28-11-13-35-25/h7-11,13-15,17,21H,2-6,12H2,1H3,(H,30,33)
InChIKeyQADKPMDQLHQQKN-UHFFFAOYSA-N
XLogP4.81
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide 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

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-(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
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
5-[2-(methylamino)-4-pyridinyl]-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277654
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 134277685
5-(2-aminopyrimidin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277796
5-(2-methylpyrimidin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277828
2-Aminobenzimidazole with trans-stilbene, 8x
CID 25169253
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-5-carboxamide
CID 25190513
2-Aminobenzimidazole with trans-stilbene, 8g
CID 25190549

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide (CID 45167383) is N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide is Cn1c(-c2ccncc2)nc2cc(C(=O)N3CCCC3c3nccs3)cc(NC(=O)C3CCC3)c21.
What is the InChIKey of N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide?
The InChIKey is QADKPMDQLHQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-31-22-19(29-23(31)16-7-9-27-10-8-16)14-18(15-20(22)30-24(33)17-4-2-5-17)26(34)32-12-3-6-21(32)25-28-11-13-35-25/h7-11,13-15,17,21H,2-6,12H2,1H3,(H,30,33).
What are the key properties of N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide?
N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-pyridin-4-yl-6-[2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 45167383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).