(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide

C19H24N4O2 — CID 118941494

IUPAC(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C19H24N4O2/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6/h7-10,13H,1-6H3,(H,20,21,24)/t13-/m1/s1
InChIKeyCUGJBOHKJAIJIS-CYBMUJFWSA-N
MW340.43 g/mol
LogP4.25
Rot. Bonds3

About (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide

(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (PubChem CID 118941494) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
PubChem CID118941494
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C19H24N4O2/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6/h7-10,13H,1-6H3,(H,20,21,24)/t13-/m1/s1
InChIKeyCUGJBOHKJAIJIS-CYBMUJFWSA-N
XLogP4.25
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The IUPAC name of (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (CID 118941494) is (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.
What is the SMILES notation for (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The canonical SMILES for (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.
What is the InChIKey of (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The InChIKey is CUGJBOHKJAIJIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6/h7-10,13H,1-6H3,(H,20,21,24)/t13-/m1/s1.
What are the key properties of (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide has a molecular weight of 340.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is sourced from PubChem (CID 118941494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).