2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide

C16H18N4O2S — CID 56790618

IUPAC2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(C)c1nc(C(C)NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C16H18N4O2S/c1-8(2)15-18-13(7-23-15)9(3)17-14(21)10-4-5-11-12(6-10)20-16(22)19-11/h4-9H,1-3H3,(H,17,21)(H2,19,20,22)
InChIKeyVVTFXQGTBMRUAB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.93
Rot. Bonds4

About 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide

2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 56790618) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID56790618
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(C)c1nc(C(C)NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C16H18N4O2S/c1-8(2)15-18-13(7-23-15)9(3)17-14(21)10-4-5-11-12(6-10)20-16(22)19-11/h4-9H,1-3H3,(H,17,21)(H2,19,20,22)
InChIKeyVVTFXQGTBMRUAB-UHFFFAOYSA-N
XLogP2.93
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide (CID 56790618) is 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide is CC(C)c1nc(C(C)NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is VVTFXQGTBMRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-8(2)15-18-13(7-23-15)9(3)17-14(21)10-4-5-11-12(6-10)20-16(22)19-11/h4-9H,1-3H3,(H,17,21)(H2,19,20,22).
What are the key properties of 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide?
2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 56790618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).