2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide

C19H16N6O2S — CID 42096690

IUPAC2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1cn2cc(CNC(=O)c3coc(Cn4cnc5ccccc54)n3)nc2s1
InChIInChI=1S/C19H16N6O2S/c1-12-7-24-8-13(22-19(24)28-12)6-20-18(26)15-10-27-17(23-15)9-25-11-21-14-4-2-3-5-16(14)25/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,26)
InChIKeyRATNJORSEWTNOU-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.02
Rot. Bonds5

About 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42096690) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID42096690
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1cn2cc(CNC(=O)c3coc(Cn4cnc5ccccc54)n3)nc2s1
InChIInChI=1S/C19H16N6O2S/c1-12-7-24-8-13(22-19(24)28-12)6-20-18(26)15-10-27-17(23-15)9-25-11-21-14-4-2-3-5-16(14)25/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,26)
InChIKeyRATNJORSEWTNOU-UHFFFAOYSA-N
XLogP3.02
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1H-benzimidazol-1-ylmethyl)-N-[3-(methylthio)propyl]-1,3-oxazole-4-carboxamide
CID 26393655
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 168162724
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-[2-(1,3-oxazol-2-yl)ethyl]benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 171615241
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(1-pyrrolidin-3-ylbenzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 172207458
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 172207460
2-(1H-benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide
CID 25285477
2-(1H-benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56720292
2-[2-[2-(1-butylbenzimidazol-2-yl)ethylamino]ethyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 168162733
2-(1H-benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 26399622
2-(1H-benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42217276
2-(1H-benzimidazol-1-ylmethyl)-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-1,3-oxazole-4-carboxamide
CID 42293062
2-(1H-benzimidazol-1-ylmethyl)-N-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl}-1,3-oxazole-4-carboxamide
CID 42396338

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide (CID 42096690) is 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1cn2cc(CNC(=O)c3coc(Cn4cnc5ccccc54)n3)nc2s1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RATNJORSEWTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-12-7-24-8-13(22-19(24)28-12)6-20-18(26)15-10-27-17(23-15)9-25-11-21-14-4-2-3-5-16(14)25/h2-5,7-8,10-11H,6,9H2,1H3,(H,20,26).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42096690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).