7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide

C25H23FN6O2S — CID 42163576

IUPAC7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide
SMILESCCn1c(-c2ccccc2F)nc2cc(C(=O)NCc3cn4cc(C)sc4n3)cc(NC(C)=O)c21
InChIInChI=1S/C25H23FN6O2S/c1-4-32-22-20(28-15(3)33)9-16(10-21(22)30-23(32)18-7-5-6-8-19(18)26)24(34)27-11-17-13-31-12-14(2)35-25(31)29-17/h5-10,12-13H,4,11H2,1-3H3,(H,27,34)(H,28,33)
InChIKeyIKMIQCCOEKYGGZ-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.77
Rot. Bonds6

About 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide

7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 42163576) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide
PubChem CID42163576
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC Name7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide
SMILESCCn1c(-c2ccccc2F)nc2cc(C(=O)NCc3cn4cc(C)sc4n3)cc(NC(C)=O)c21
InChIInChI=1S/C25H23FN6O2S/c1-4-32-22-20(28-15(3)33)9-16(10-21(22)30-23(32)18-7-5-6-8-19(18)26)24(34)27-11-17-13-31-12-14(2)35-25(31)29-17/h5-10,12-13H,4,11H2,1-3H3,(H,27,34)(H,28,33)
InChIKeyIKMIQCCOEKYGGZ-UHFFFAOYSA-N
XLogP4.77
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
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
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
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, 8u
CID 25190564
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
2-(4-methylphenyl)-N~7~-propylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018305
N~7~-[3-(1-azepanyl)propyl]-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018540
2-(ethylcarbamoylamino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25153946
1-(4-Fluorophenyl)-5-({3-[4-(1,3-thiazol-2-ylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1H-benzimidazole
CID 59625986
1-[(2R)-4-[4-(6-acetyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725963

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide (CID 42163576) is 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide is CCn1c(-c2ccccc2F)nc2cc(C(=O)NCc3cn4cc(C)sc4n3)cc(NC(C)=O)c21.
What is the InChIKey of 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is IKMIQCCOEKYGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c1-4-32-22-20(28-15(3)33)9-16(10-21(22)30-23(32)18-7-5-6-8-19(18)26)24(34)27-11-17-13-31-12-14(2)35-25(31)29-17/h5-10,12-13H,4,11H2,1-3H3,(H,27,34)(H,28,33).
What are the key properties of 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide?
7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-1-ethyl-2-(2-fluorophenyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 42163576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).